Upstream Precursor

BPRSPRGTVGSTKD-VQTJNVASSA-N

N-((2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)-4-nitrobenzenesulfonamide

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)[…

Depth 1

Product

NUMJNKDUHFCFJO-UHFFFAOYSA-N

4-Amino-N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-benzenesulfonamide

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N

Upstream Precursor

CQGKCZKCWMWXQP-XZOQPEGZSA-N

tert-Butyl ((1S,2R)-1-benzyl-2-hydroxy-3-(isobutyl((4-nitrophenyl)sulfonyl)amino)propyl)carbamate

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)S(=O)(=O)…

Depth 2

Product

NUMJNKDUHFCFJO-UHFFFAOYSA-N

4-Amino-N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-benzenesulfonamide

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N

Upstream Precursor

QFZSOXOKALFBGE-UHFFFAOYSA-N

N-(3-amino-2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)-4-nitrosobenzenesulfonamide

CC(C)CN(CC(C(Cc1ccccc1)N)O)S(=O)(=O)c2ccc(cc2)N=O

Depth 2

Product

NUMJNKDUHFCFJO-UHFFFAOYSA-N

4-Amino-N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-benzenesulfonamide

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N

Upstream Precursor

CQSONFFGDRYYAM-UHFFFAOYSA-N

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)NO

Depth 1

Product

NUMJNKDUHFCFJO-UHFFFAOYSA-N

4-Amino-N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-benzenesulfonamide

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N

Upstream Precursor

GSFKNEPGHWUCQO-UHFFFAOYSA-N

propyl]carbamic Acid tert-Butyl Ester-d9

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)S(=O)(=O)C2=CC=C(C=C2)N

Depth 1

Product

NUMJNKDUHFCFJO-UHFFFAOYSA-N

4-Amino-N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-benzenesulfonamide

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N

Upstream Precursor

WSUZRAQWQKHZNC-UHFFFAOYSA-N

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N(O)O

Depth 3

Product

NUMJNKDUHFCFJO-UHFFFAOYSA-N

4-Amino-N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-benzenesulfonamide

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N

Upstream Precursor

JTYKZTUJYLDDJS-UHFFFAOYSA-N

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)S(=O)(=O)C2=CC=C(…

Depth 2

Product

NUMJNKDUHFCFJO-UHFFFAOYSA-N

4-Amino-N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-benzenesulfonamide

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N

Precursor

NUMJNKDUHFCFJO-UHFFFAOYSA-N

4-Amino-N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-benzenesulfonamide

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N

Depth 2

Downstream Successor

BDAGIHXWWSANSR-UHFFFAOYSA-N

Formic Acid

OC=O

Precursor

NUMJNKDUHFCFJO-UHFFFAOYSA-N

4-Amino-N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-benzenesulfonamide

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N

Depth 2

Downstream Successor

BVKZGUZCCUSVTD-UHFFFAOYSA-N

Carbonic Acid

C(=O)(O)O

Precursor

NUMJNKDUHFCFJO-UHFFFAOYSA-N

4-Amino-N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-benzenesulfonamide

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N

Depth 1

Downstream Successor

PAYRUJLWNCNPSJ-UHFFFAOYSA-N

Aniline

Nc1ccccc1

Precursor

NUMJNKDUHFCFJO-UHFFFAOYSA-N

4-Amino-N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-benzenesulfonamide

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N

Depth 2

Downstream Successor

ISWSIDIOOBJBQZ-UHFFFAOYSA-N

Phenol

Oc1ccccc1

Precursor

NUMJNKDUHFCFJO-UHFFFAOYSA-N

4-Amino-N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-benzenesulfonamide

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N

Depth 2

Downstream Successor

JBEBGTMCZIGUTK-UHFFFAOYSA-N

2-Hydroxyhexa-2,4-diendioic acid

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

Precursor

NUMJNKDUHFCFJO-UHFFFAOYSA-N

4-Amino-N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-benzenesulfonamide

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N

Depth 3

Downstream Successor

TXXHDPDFNKHHGW-UHFFFAOYSA-N

2,4-Hexadienedioic acid, (2Z,4Z)-

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

Precursor

NUMJNKDUHFCFJO-UHFFFAOYSA-N

4-Amino-N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-benzenesulfonamide

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N

Depth 3

Downstream Successor

FJKROLUGYXJWQN-UHFFFAOYSA-N

4-Hydroxybenzoic Acid

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

Precursor

NUMJNKDUHFCFJO-UHFFFAOYSA-N

4-Amino-N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-benzenesulfonamide

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N

Depth 2

Downstream Successor

PLIKAWJENQZMHA-UHFFFAOYSA-N

4-Aminophenol

c1cc(ccc1O)N

Precursor

NUMJNKDUHFCFJO-UHFFFAOYSA-N

4-Amino-N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-benzenesulfonamide

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N

Depth 1

Downstream Successor

HVBSAKJJOYLTQU-UHFFFAOYSA-N

Sulfanilic acid

c1cc(ccc1N)S(=O)(=O)O

Precursor

NUMJNKDUHFCFJO-UHFFFAOYSA-N

4-Amino-N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-isobutyl-benzenesulfonamide

CC(C)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N

Depth 2

Downstream Successor

KDHUXRBROABJBC-UHFFFAOYSA-N

4-Aminocatechol

OC1=C(C=CC(=C1)N)O