(2S,4S)-5-acetyloxy-4-[(4-nitrophenyl)carbonylamino]-2-(phenylmethyl)pentanoic acid

Systemtic Name: (2S,4S)-5-acetyloxy-4-[(4-nitrophenyl)carbonylamino]-2-(phenylmethyl)pentanoic acid Openeye Name: (2S,4S)-5-acetoxy-2-benzyl-4-[(4-nitrobenzoyl)amino]pentanoic acid CAS Name: (2S,4S)-5-acetyloxy-4-[[(4-nitrophenyl)-oxomethyl]amino]-2-(phenylmethyl)pentanoic acid IUPAC Name: (2S,4S)-5-acetyloxy-2-benzyl-4-[(4-nitrobenzoyl)amino]pentanoic acid Traditional Name: (2S,4S)-5-acetoxy-2-benzyl-4-[(4-nitrobenzoyl)amino]valeric acid Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CC(CC1=CC=CC=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC[C@H](C[C@H](CC1=CC=CC=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-14(24)30-13-18(12-17(21(26)27)11-15-5-3-2-4-6-15)22-20(25)16-7-9-19(10-8-16)23(28)29/h2-10,17-18H,11-13H2,1H3,(H,22,25)(H,26,27)/t17-,18-/m0/s1