methyl 2-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-[(2S)-2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoyl]-4-(2-tert-butoxy-2-oxo-ethyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-nitrophenyl)-1-oxopropyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-[(2S)-2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoyl]-4-(2-tert-butoxy-2-keto-ethyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C27H38N4O10 MolecularWeight: 578.61142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCN(C(C1=O)CC(=O)OC)C(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCN([C@H](C1=O)CC(=O)OC)C(=O)[C@H](CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H38N4O10/c1-26(2,3)40-22(33)16-29-12-13-30(20(24(29)35)15-21(32)39-7)23(34)19(28-25(36)41-27(4,5)6)14-17-8-10-18(11-9-17)31(37)38/h8-11,19-20H,12-16H2,1-7H3,(H,28,36)/t19-,20-/m0/s1