4-[2-azanylethanoyl-[2-(phenylcarbonylsulfanyl)propanoyl]amino]-2-(2-azanylethyl)-3-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-azanylethanoyl-[2-(phenylcarbonylsulfanyl)propanoyl]amino]-2-(2-azanylethyl)-3-oxidanylidene-butanoic acid Openeye Name: 4-[(2-aminoacetyl)-(2-benzoylsulfanylpropanoyl)amino]-2-(2-aminoethyl)-3-oxo-butanoic acid CAS Name: 2-(2-aminoethyl)-4-[(2-amino-1-oxoethyl)-[2-(benzoylthio)-1-oxopropyl]amino]-3-oxobutanoic acid IUPAC Name: 4-[(2-aminoacetyl)-(2-benzoylsulfanylpropanoyl)amino]-2-(2-aminoethyl)-3-oxobutanoic acid Traditional Name: 2-(2-aminoethyl)-4-[2-(benzoylthio)propanoyl-glycyl-amino]-3-keto-butyric acid Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC(=O)C(CCN)C(=O)O)C(=O)CN)SC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C(=O)N(CC(=O)C(CCN)C(=O)O)C(=O)CN)SC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H23N3O6S/c1-11(28-18(27)12-5-3-2-4-6-12)16(24)21(15(23)9-20)10-14(22)13(7-8-19)17(25)26/h2-6,11,13H,7-10,19-20H2,1H3,(H,25,26)