4-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-(phenylcarbonylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-(phenylcarbonylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[1-(benzoylsulfanylmethyl)-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[3-(benzoylthio)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[3-benzoylsulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[1-[(benzoylthio)methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C17H21N3O7S MolecularWeight: 411.42954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC(C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC(C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C17H21N3O7S/c18-11(6-7-13(21)22)15(25)20-12(16(26)19-8-14(23)24)9-28-17(27)10-4-2-1-3-5-10/h1-5,11-12H,6-9,18H2,(H,19,26)(H,20,25)(H,21,22)(H,23,24)