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

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-3-[(3-nitrophenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-1-[(3-nitrophenyl)methylsulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-[(3-nitrophenyl)methylthio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-[(3-nitrophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-2-keto-1-[[(3-nitrobenzyl)thio]methyl]ethyl]amino]-5-keto-valeric acid Formula: C17H22N4O8S MolecularWeight: 442.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C17H22N4O8S/c18-12(17(26)27)4-5-14(22)20-13(16(25)19-7-15(23)24)9-30-8-10-2-1-3-11(6-10)21(28)29/h1-3,6,12-13H,4-5,7-9,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)