5-[[3-(5-acetamido-2-oxidanyl-phenyl)sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-azanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-(5-acetamido-2-oxidanyl-phenyl)sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[1-[(5-acetamido-2-hydroxy-phenyl)sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-2-amino-5-oxo-pentanoic acid CAS Name: 5-[[3-[(5-acetamido-2-hydroxyphenyl)thio]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid IUPAC Name: 5-[[3-(5-acetamido-2-hydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid Traditional Name: 5-[[1-[[(5-acetamido-2-hydroxy-phenyl)thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-2-amino-5-keto-valeric acid Formula: C18H24N4O8S MolecularWeight: 456.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C18H24N4O8S/c1-9(23)21-10-2-4-13(24)14(6-10)31-8-12(17(28)20-7-16(26)27)22-15(25)5-3-11(19)18(29)30/h2,4,6,11-12,24H,3,5,7-8,19H2,1H3,(H,20,28)(H,21,23)(H,22,25)(H,26,27)(H,29,30)