(phenylmethyl) (2S)-3-methyl-2-[[(2S)-4-methyl-2-(2-nitroethanoylamino)pentanoyl]amino]butanoate

Systemtic Name: (phenylmethyl) (2S)-3-methyl-2-[[(2S)-4-methyl-2-(2-nitroethanoylamino)pentanoyl]amino]butanoate Openeye Name: benzyl (2S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-nitroacetyl)amino]pentanoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-nitro-1-oxoethyl)amino]-1-oxopentyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-nitroacetyl)amino]pentanoyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-nitroacetyl)amino]pentanoyl]amino]butyric acid benzyl ester Formula: C20H29N3O6 MolecularWeight: 407.46076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)OCC1=CC=CC=C1)NC(=O)C[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OCC1=CC=CC=C1)NC(=O)C[N+](=O)[O-]

InChI

InChI=1S/C20H29N3O6/c1-13(2)10-16(21-17(24)11-23(27)28)19(25)22-18(14(3)4)20(26)29-12-15-8-6-5-7-9-15/h5-9,13-14,16,18H,10-12H2,1-4H3,(H,21,24)(H,22,25)/t16-,18-/m0/s1