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

Systemtic Name: methyl (2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-nitrophenyl)methoxycarbonylamino]pentanoyl]amino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-nitrophenyl)methoxycarbonylamino]pentanoyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2-nitrophenyl)methoxy-oxomethyl]amino]-1-oxopentyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-nitrophenyl)methoxycarbonylamino]pentanoyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-nitrobenzyl)oxycarbonylamino]pentanoyl]amino]valeric acid methyl ester Formula: C21H31N3O7 MolecularWeight: 437.48674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O7/c1-13(2)10-16(19(25)22-17(11-14(3)4)20(26)30-5)23-21(27)31-12-15-8-6-7-9-18(15)24(28)29/h6-9,13-14,16-17H,10-12H2,1-5H3,(H,22,25)(H,23,27)/t16-,17-/m0/s1