2-[2-[(2-azanyl-3-sulfanyl-propanoyl)oxyamino]butanoyloxyamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[(2-azanyl-3-sulfanyl-propanoyl)oxyamino]butanoyloxyamino]-3-phenyl-propanoic acid Openeye Name: 2-[2-[(2-amino-3-sulfanyl-propanoyl)oxyamino]butanoyloxyamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(2-amino-3-mercapto-1-oxopropoxy)amino]-1-oxobutoxy]amino]-3-phenylpropanoic acid IUPAC Name: 2-[2-[(2-amino-3-sulfanylpropanoyl)oxyamino]butanoyloxyamino]-3-phenylpropanoic acid Traditional Name: 2-[2-[(2-amino-3-mercapto-propanoyl)oxyamino]butanoyloxyamino]-3-phenyl-propionic acid Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)ONC(CC1=CC=CC=C1)C(=O)O)NOC(=O)C(CS)N

Isomeric SMILES

CCC(C(=O)ONC(CC1=CC=CC=C1)C(=O)O)NOC(=O)C(CS)N

InChI

InChI=1S/C16H23N3O6S/c1-2-12(18-24-15(22)11(17)9-26)16(23)25-19-13(14(20)21)8-10-6-4-3-5-7-10/h3-7,11-13,18-19,26H,2,8-9,17H2,1H3,(H,20,21)