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

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-3-[(2-nitrophenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-1-[(2-nitrophenyl)methylsulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-[(2-nitrophenyl)methylthio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-[(2-nitrophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-2-keto-1-[[(2-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=C(C(=C1)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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