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

Systemtic Name: methyl 2-[(2S)-1-[(2S)-3-[4-[methyl-(phenylmethyl)amino]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-[(2S)-3-[4-[benzyl(methyl)amino]phenyl]-2-(tert-butoxycarbonylamino)propanoyl]-4-(2-tert-butoxy-2-oxo-ethyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[(2S)-3-[4-[methyl-(phenylmethyl)amino]phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[(2S)-3-[4-[benzyl(methyl)amino]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-[(2S)-3-[4-[benzyl(methyl)amino]phenyl]-2-(tert-butoxycarbonylamino)propanoyl]-4-(2-tert-butoxy-2-keto-ethyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C35H48N4O8 MolecularWeight: 652.77762

Click to see the large picture

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(C)CC3=CC=CC=C3)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(C)CC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C35H48N4O8/c1-34(2,3)46-30(41)23-38-18-19-39(28(32(38)43)21-29(40)45-8)31(42)27(36-33(44)47-35(4,5)6)20-24-14-16-26(17-15-24)37(7)22-25-12-10-9-11-13-25/h9-17,27-28H,18-23H2,1-8H3,(H,36,44)/t27-,28-/m0/s1