(2S)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-[[2-hydroxy-3-(4-nitrophenoxy)propyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[2-hydroxy-3-(4-nitrophenoxy)propyl]thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[2-hydroxy-3-(4-nitrophenoxy)propyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-[[[2-hydroxy-3-(4-nitrophenoxy)propyl]thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C19H26N4O10S MolecularWeight: 502.49554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OCC(CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O

InChI

InChI=1S/C19H26N4O10S/c20-14(19(29)30)5-6-16(25)22-15(18(28)21-7-17(26)27)10-34-9-12(24)8-33-13-3-1-11(2-4-13)23(31)32/h1-4,12,14-15,24H,5-10,20H2,(H,21,28)(H,22,25)(H,26,27)(H,29,30)/t12?,14-,15-/m0/s1