2-(4-ethanoyl-2-nitro-phenyl)ethyl (3S)-3-[2-[[(2S)-2-acetamido-3-oxidanyl-propanoyl]amino]ethanoylamino]-4-azanyl-4-oxidanylidene-butanoate

Systemtic Name: 2-(4-ethanoyl-2-nitro-phenyl)ethyl (3S)-3-[2-[[(2S)-2-acetamido-3-oxidanyl-propanoyl]amino]ethanoylamino]-4-azanyl-4-oxidanylidene-butanoate Openeye Name: 2-(4-acetyl-2-nitro-phenyl)ethyl (3S)-3-[[2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]acetyl]amino]-4-amino-4-oxo-butanoate CAS Name: (3S)-3-[[2-[[(2S)-2-acetamido-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-4-amino-4-oxobutanoic acid 2-(4-acetyl-2-nitrophenyl)ethyl ester IUPAC Name: 2-(4-acetyl-2-nitrophenyl)ethyl (3S)-3-[[2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoate Traditional Name: (3S)-3-[[2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]acetyl]amino]-4-amino-4-keto-butyric acid 2-(4-acetyl-2-nitro-phenyl)ethyl ester Formula: C21H27N5O10 MolecularWeight: 509.46658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)CCOC(=O)CC(C(=O)N)NC(=O)CNC(=O)C(CO)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)CCOC(=O)C[C@@H](C(=O)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O10/c1-11(28)14-4-3-13(17(7-14)26(34)35)5-6-36-19(31)8-15(20(22)32)25-18(30)9-23-21(33)16(10-27)24-12(2)29/h3-4,7,15-16,27H,5-6,8-10H2,1-2H3,(H2,22,32)(H,23,33)(H,24,29)(H,25,30)/t15-,16-/m0/s1