(phenylmethyl) N-[(2S)-6-[2-(2-nitrophenyl)ethanoylamino]-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-6-[2-(2-nitrophenyl)ethanoylamino]-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-5-[[2-(2-nitrophenyl)acetyl]amino]-1-(phenylcarbamoyl)pentyl]carbamate CAS Name: N-[(2S)-1-anilino-6-[[2-(2-nitrophenyl)-1-oxoethyl]amino]-1-oxohexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-anilino-6-[[2-(2-nitrophenyl)acetyl]amino]-1-oxohexan-2-yl]carbamate Traditional Name: N-[(1S)-5-[[2-(2-nitrophenyl)acetyl]amino]-1-(phenylcarbamoyl)pentyl]carbamic acid benzyl ester Formula: C28H30N4O6 MolecularWeight: 518.561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCCNC(=O)CC2=CC=CC=C2[N+](=O)[O-])C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCCNC(=O)CC2=CC=CC=C2[N+](=O)[O-])C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C28H30N4O6/c33-26(19-22-13-7-8-17-25(22)32(36)37)29-18-10-9-16-24(27(34)30-23-14-5-2-6-15-23)31-28(35)38-20-21-11-3-1-4-12-21/h1-8,11-15,17,24H,9-10,16,18-20H2,(H,29,33)(H,30,34)(H,31,35)/t24-/m0/s1