methyl 2-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-prop-2-enoxyphenyl)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-prop-2-enoxyphenyl)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-allyloxyphenyl)-2-(tert-butoxycarbonylamino)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]-1-oxo-3-(4-prop-2-enoxyphenyl)propyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-prop-2-enoxyphenyl)propanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-[(2S)-3-(4-allyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]-4-(2-tert-butoxy-2-keto-ethyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C30H43N3O9 MolecularWeight: 589.67712

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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)OCC=C)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)OCC=C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C30H43N3O9/c1-9-16-40-21-12-10-20(11-13-21)17-22(31-28(38)42-30(5,6)7)26(36)33-15-14-32(19-25(35)41-29(2,3)4)27(37)23(33)18-24(34)39-8/h9-13,22-23H,1,14-19H2,2-8H3,(H,31,38)/t22-,23-/m0/s1