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

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-(2-oxidanyl-2-phenyl-ethanoyl)sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-1-[(2-hydroxy-2-phenyl-acetyl)sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-[(2-hydroxy-1-oxo-2-phenylethyl)thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-(2-hydroxy-2-phenylacetyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-2-keto-1-[(mandeloylthio)methyl]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)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O

Isomeric SMILES

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

InChI

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