phenacyl 3-[[(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-5-(octadecanoylamino)benzoate

Systemtic Name: phenacyl 3-[[(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-5-(octadecanoylamino)benzoate Openeye Name: phenacyl 3-[[(2S)-2-(tert-butoxycarbonylamino)-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoyl]amino]-5-(octadecanoylamino)benzoate CAS Name: 3-[[(2S)-6-[[(2-chlorophenyl)methoxy-oxomethyl]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-5-(1-oxooctadecylamino)benzoic acid phenacyl ester IUPAC Name: phenacyl 3-[[(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-5-(octadecanoylamino)benzoate Traditional Name: 3-[[(2S)-2-(tert-butoxycarbonylamino)-6-[(2-chlorobenzyl)oxycarbonylamino]hexanoyl]amino]-5-stearamido-benzoic acid phenacyl ester Formula: C52H73ClN4O9 MolecularWeight: 933.61042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=CC=C2)NC(=O)C(CCCCNC(=O)OCC3=CC=CC=C3Cl)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=CC=C2)NC(=O)[C@H](CCCCNC(=O)OCC3=CC=CC=C3Cl)NC(=O)OC(C)(C)C

InChI

InChI=1S/C52H73ClN4O9/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-32-47(59)55-42-34-41(49(61)64-38-46(58)39-27-20-19-21-28-39)35-43(36-42)56-48(60)45(57-51(63)66-52(2,3)4)31-25-26-33-54-50(62)65-37-40-29-23-24-30-44(40)53/h19-21,23-24,27-30,34-36,45H,5-18,22,25-26,31-33,37-38H2,1-4H3,(H,54,62)(H,55,59)(H,56,60)(H,57,63)/t45-/m0/s1