ethyl (E,4S)-4-[[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-7-oxidanylidene-7-[(triphenylmethyl)amino]hept-2-enoate

Systemtic Name: ethyl (E,4S)-4-[[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-7-oxidanylidene-7-[(triphenylmethyl)amino]hept-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2S)-2-(tert-butoxycarbonylamino)-3-cyclohexyl-propanoyl]amino]-7-oxo-7-(tritylamino)hept-2-enoate CAS Name: (E,4S)-4-[[(2S)-3-cyclohexyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-7-oxo-7-[(triphenylmethyl)amino]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-7-oxo-7-(tritylamino)hept-2-enoate Traditional Name: (E,4S)-4-[[(2S)-2-(tert-butoxycarbonylamino)-3-cyclohexyl-propanoyl]amino]-7-keto-7-(tritylamino)hept-2-enoic acid ethyl ester Formula: C42H53N3O6 MolecularWeight: 695.88672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C(CC4CCCCC4)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)[C@H](CC4CCCCC4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C42H53N3O6/c1-5-50-38(47)29-27-35(43-39(48)36(30-31-18-10-6-11-19-31)44-40(49)51-41(2,3)4)26-28-37(46)45-42(32-20-12-7-13-21-32,33-22-14-8-15-23-33)34-24-16-9-17-25-34/h7-9,12-17,20-25,27,29,31,35-36H,5-6,10-11,18-19,26,28,30H2,1-4H3,(H,43,48)(H,44,49)(H,45,46)/b29-27+/t35-,36-/m0/s1