(2S,3S)-3-methyl-2-[(4-nitrophenyl)-phenylmethoxycarbonyl-amino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[(4-nitrophenyl)-phenylmethoxycarbonyl-amino]pentanoate Openeye Name: (2S,3S)-2-(N-benzyloxycarbonyl-4-nitro-anilino)-3-methyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-(4-nitro-N-phenylmethoxycarbonylanilino)pentanoate IUPAC Name: (2S,3S)-3-methyl-2-(4-nitro-N-phenylmethoxycarbonylanilino)pentanoate Traditional Name: (2S,3S)-2-(N-carbobenzoxy-4-nitro-anilino)-3-methyl-valerate Formula: C20H21N2O6- MolecularWeight: 385.39054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])N(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O6/c1-3-14(2)18(19(23)24)21(16-9-11-17(12-10-16)22(26)27)20(25)28-13-15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3,(H,23,24)/p-1/t14-,18-/m0/s1