4-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-oxidanylidene-2-[phenyl-(phenylmethyl)amino]-5-sulfanyl-pentanoic acid

Systemtic Name: 4-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-oxidanylidene-2-[phenyl-(phenylmethyl)amino]-5-sulfanyl-pentanoic acid Openeye Name: 4-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-2-(N-benzylanilino)-3-oxo-5-sulfanyl-pentanoic acid CAS Name: 4-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-5-mercapto-3-oxo-2-(N-(phenylmethyl)anilino)pentanoic acid IUPAC Name: 4-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-2-(N-benzylanilino)-3-oxo-5-sulfanylpentanoic acid Traditional Name: 4-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-2-(N-benzylanilino)-3-keto-5-mercapto-valeric acid Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(C(=O)C(CS)NC(=O)CCC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(C(=O)C(CS)NC(=O)CCC(C(=O)O)N)C(=O)O

InChI

InChI=1S/C23H27N3O6S/c24-17(22(29)30)11-12-19(27)25-18(14-33)21(28)20(23(31)32)26(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-10,17-18,20,33H,11-14,24H2,(H,25,27)(H,29,30)(H,31,32)