(4-nitrophenyl) (2S)-2-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (4-nitrophenyl) (2S)-2-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoate Openeye Name: (4-nitrophenyl) (2S)-2-[[(2R)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2R)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-3-phenylpropanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S)-2-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2R)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid (4-nitrophenyl) ester Formula: C29H31N3O7 MolecularWeight: 533.57234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H31N3O7/c1-20(2)17-25(31-29(35)38-19-22-11-7-4-8-12-22)27(33)30-26(18-21-9-5-3-6-10-21)28(34)39-24-15-13-23(14-16-24)32(36)37/h3-16,20,25-26H,17-19H2,1-2H3,(H,30,33)(H,31,35)/t25-,26+/m1/s1