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

Systemtic Name: 4-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-(2-phenylethanoylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[2-(carboxymethylamino)-2-oxo-1-[(2-phenylacetyl)sulfanylmethyl]ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[(1-oxo-2-phenylethyl)thio]propan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[1-(carboxymethylamino)-1-oxo-3-(2-phenylacetyl)sulfanylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[2-(carboxymethylamino)-2-keto-1-[[(2-phenylacetyl)thio]methyl]ethyl]amino]-5-keto-valeric acid Formula: C18H23N3O7S MolecularWeight: 425.45612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O7S/c19-12(6-7-14(22)23)17(27)21-13(18(28)20-9-15(24)25)10-29-16(26)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10,19H2,(H,20,28)(H,21,27)(H,22,23)(H,24,25)