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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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