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

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-3-[(4-nitrophenyl)methoxycarbonylsulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-1-[(4-nitrophenyl)methoxycarbonylsulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-[[(4-nitrophenyl)methoxy-oxomethyl]thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-[(4-nitrophenyl)methoxycarbonylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-2-keto-1-[[(4-nitrobenzyl)oxycarbonylthio]methyl]ethyl]amino]-5-keto-valeric acid Formula: C18H22N4O10S MolecularWeight: 486.45308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O10S/c19-12(17(27)28)5-6-14(23)21-13(16(26)20-7-15(24)25)9-33-18(29)32-8-10-1-3-11(4-2-10)22(30)31/h1-4,12-13H,5-9,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)