(4-nitrophenyl)methyl 4-methyl-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate

Systemtic Name: (4-nitrophenyl)methyl 4-methyl-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate Openeye Name: (4-nitrophenyl)methyl 2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-methyl-pentanoate CAS Name: 4-methyl-2-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]pentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-methyl-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-methyl-valeric acid (4-nitrobenzyl) ester Formula: C27H35N3O7 MolecularWeight: 513.5827

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(C)C)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H35N3O7/c1-18(2)14-23(29-27(33)37-17-20-8-6-5-7-9-20)25(31)28-24(15-19(3)4)26(32)36-16-21-10-12-22(13-11-21)30(34)35/h5-13,18-19,23-24H,14-17H2,1-4H3,(H,28,31)(H,29,33)