2-[(2-azanyl-4-sulfanyl-butanoyl)-phenylmethoxycarbonyl-amino]-3-[2-(hydroxymethyl)phenyl]propanoic acid

Systemtic Name: 2-[(2-azanyl-4-sulfanyl-butanoyl)-phenylmethoxycarbonyl-amino]-3-[2-(hydroxymethyl)phenyl]propanoic acid Openeye Name: 2-[(2-amino-4-sulfanyl-butanoyl)-benzyloxycarbonyl-amino]-3-[2-(hydroxymethyl)phenyl]propanoic acid CAS Name: 2-[(2-amino-4-mercapto-1-oxobutyl)-phenylmethoxycarbonylamino]-3-[2-(hydroxymethyl)phenyl]propanoic acid IUPAC Name: 2-[(2-amino-4-sulfanylbutanoyl)-phenylmethoxycarbonylamino]-3-[2-(hydroxymethyl)phenyl]propanoic acid Traditional Name: 2-[(2-amino-4-mercapto-butanoyl)-carbobenzoxy-amino]-3-(2-methylolphenyl)propionic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(C(CC2=CC=CC=C2CO)C(=O)O)C(=O)C(CCS)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(C(CC2=CC=CC=C2CO)C(=O)O)C(=O)C(CCS)N

InChI

InChI=1S/C22H26N2O6S/c23-18(10-11-31)20(26)24(22(29)30-14-15-6-2-1-3-7-15)19(21(27)28)12-16-8-4-5-9-17(16)13-25/h1-9,18-19,25,31H,10-14,23H2,(H,27,28)