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

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-phenylmethoxycarbonylsulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[1-(benzyloxycarbonylsulfanylmethyl)-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-(phenylmethoxycarbonylthio)propan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-phenylmethoxycarbonylsulfanylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[1-[(carbobenzoxythio)methyl]-2-(carboxymethylamino)-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)COC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

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

InChI

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