4-azanyl-5-[[1-[carboxymethyl(phenyl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[1-[carboxymethyl(phenyl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[2-[N-(carboxymethyl)anilino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[1-[N-(carboxymethyl)anilino]-3-mercapto-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[1-[N-(carboxymethyl)anilino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[2-[N-(carboxymethyl)anilino]-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6S/c17-11(6-7-13(20)21)15(24)18-12(9-26)16(25)19(8-14(22)23)10-4-2-1-3-5-10/h1-5,11-12,26H,6-9,17H2,(H,18,24)(H,20,21)(H,22,23)