Upstream Precursor

UWTASUKCZNGRDU-DKIMLUQUSA-N

H-Met-arg-phe-ala-OH

C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCN=C(N)…

Depth 2

Product

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Upstream Precursor

UEVAHGMTRWGMTB-UHFFFAOYSA-N

Tyrosyl-N~5~-(diaminomethylidene)ornithylphenylalanyllysinamide

C1=CC=C(C=C1)CC(C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O…

Depth 2

Product

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Upstream Precursor

QDUGGFNVNUNXQC-UHFFFAOYSA-N

c1ccc(cc1)CC(C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCN=C(N)N)N

Depth 1

Product

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Upstream Precursor

YWMIJVGCBQSDTA-UHFFFAOYSA-N

C1=CC=C(C=C1)CC(C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O…

Depth 2

Product

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Upstream Precursor

CZUHPNLXLWMYMG-UHFFFAOYSA-N

2-[[2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid

CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)N

Depth 1

Product

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Upstream Precursor

CQZWLVDDIOZTJI-UHFFFAOYSA-N

H-Arg-Phe-NH2 hydrochloride salt

c1ccc(cc1)CC(C(=O)N)NC(=O)C(CCCN=C(N)N)N

Depth 1

Product

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Upstream Precursor

XHALUUQSNXSPLP-UHFFFAOYSA-N

H-DL-Tyr-DL-Arg-DL-Phe-OH

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(cc2)O)N

Depth 1

Product

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Upstream Precursor

MMQQVSHPJQEKHJ-UHFFFAOYSA-N

C1=CC=C(C=C1)CC(C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O…

Depth 2

Product

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Upstream Precursor

LKMZHSJVQYKFHT-UHFFFAOYSA-N

C1=CC=C(C=C1)CC(C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O…

Depth 2

Product

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Upstream Precursor

ULZYESDKCUFGLY-UHFFFAOYSA-N

C1=CC=C(C=C1)CC(C(=O)NC(CCCCNO)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=…

Depth 2

Product

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Precursor

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Depth 3

Downstream Successor

BDAGIHXWWSANSR-UHFFFAOYSA-N

Formic Acid

OC=O

Precursor

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Depth 3

Downstream Successor

JBEBGTMCZIGUTK-UHFFFAOYSA-N

2-Hydroxyhexa-2,4-diendioic acid

C(=CC=CC(=O)O)(C(O)=O)O

Precursor

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Depth 1

Downstream Successor

COLNVLDHVKWLRT-UHFFFAOYSA-N

Dl-Phenylalanine

C1=CC=CC=C1CC(C(=O)O)N

Precursor

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Depth 1

Downstream Successor

ODKSFYDXXFIFQN-UHFFFAOYSA-N

DL-Arginine

OC(=O)C(CCCN=C(N)N)N

Precursor

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Depth 2

Downstream Successor

OUYCCCASQSFEME-UHFFFAOYSA-N

DL-Tyrosine

NC(C(=O)O)Cc1ccc(cc1)O

Precursor

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Depth 1

Downstream Successor

VOXXWSYKYCBWHO-UHFFFAOYSA-N

(+-)-3-Phenyllactic acid

C1=CC=C(C=C1)CC(C(=O)O)O

Precursor

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Depth 3

Downstream Successor

BJEPYKJPYRNKOW-UHFFFAOYSA-N

Malic Acid

C(C(CC(=O)O)O)(O)=O

Precursor

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Depth 3

Downstream Successor

CKLJMWTZIZZHCS-UHFFFAOYSA-N

(+-)-Aspartic Acid

C(C(CC(=O)O)N)(O)=O

Precursor

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Depth 2

Downstream Successor

PAFLSMZLRSPALU-UHFFFAOYSA-N

3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid

C(C(C(=O)O)O)C1=CC(O)=C(C=C1)O

Precursor

PQBHGSGQZSOLIR-UHFFFAOYSA-N

2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

c1ccc(cc1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N

Depth 1

Downstream Successor

ULEBESPCVWBNIF-UHFFFAOYSA-N

2-Amino-5-(diaminomethylideneamino)pentanamide

NC(CCCN=C(N)N)C(=O)N