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

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-1-[(2-hydroxy-2-oxo-1-phenyl-ethyl)sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-[(2-hydroxy-2-oxo-1-phenylethyl)thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-(2-hydroxy-2-oxo-1-phenylethyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-1-[[(2-hydroxy-2-keto-1-phenyl-ethyl)thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C18H23N3O8S MolecularWeight: 441.45552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O8S/c19-11(17(26)27)6-7-13(22)21-12(16(25)20-8-14(23)24)9-30-15(18(28)29)10-4-2-1-3-5-10/h1-5,11-12,15H,6-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)(H,28,29)