(4S)-4-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-3-methyl-1-[[(2S)-1-[(4-nitrophenyl)amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-3-methyl-1-[[(2S)-1-[(4-nitrophenyl)amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-5-[[(1S)-1-[[(1S)-3-hydroxy-1-[(4-nitrophenyl)carbamoyl]-3-oxo-propyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-acetamido-4-hydroxy-1,4-dioxobutyl]amino]-5-[[(2S)-1-[[(2S)-4-hydroxy-1-(4-nitroanilino)-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-4-hydroxy-1-(4-nitroanilino)-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-keto-butanoyl]amino]-5-[[(1S)-1-[[(1S)-3-hydroxy-3-keto-1-[(4-nitrophenyl)carbamoyl]propyl]carbamoyl]-2-methyl-propyl]amino]-5-keto-valeric acid Formula: C26H34N6O13 MolecularWeight: 638.58056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C

InChI

InChI=1S/C26H34N6O13/c1-12(2)22(26(43)30-18(11-21(38)39)24(41)28-14-4-6-15(7-5-14)32(44)45)31-23(40)16(8-9-19(34)35)29-25(42)17(10-20(36)37)27-13(3)33/h4-7,12,16-18,22H,8-11H2,1-3H3,(H,27,33)(H,28,41)(H,29,42)(H,30,43)(H,31,40)(H,34,35)(H,36,37)(H,38,39)/t16-,17-,18-,22-/m0/s1