tert-butyl N-[(2S)-1-[12-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]dodecylamino]-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[12-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]dodecylamino]-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[12-[[(2S)-3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]dodecylamino]-1-[(4-benzyloxyphenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[12-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propyl]amino]dodecylamino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[12-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]dodecylamino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate Traditional Name: N-[(1S)-1-(4-benzoxybenzyl)-2-[12-[[(2S)-3-(4-benzoxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]dodecylamino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C54H74N4O8 MolecularWeight: 907.18736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCCCCCCCCCCCNC(=O)C(CC3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCCCCCCCCCCCNC(=O)[C@H](CC3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C54H74N4O8/c1-53(2,3)65-51(61)57-47(37-41-27-31-45(32-28-41)63-39-43-23-17-15-18-24-43)49(59)55-35-21-13-11-9-7-8-10-12-14-22-36-56-50(60)48(58-52(62)66-54(4,5)6)38-42-29-33-46(34-30-42)64-40-44-25-19-16-20-26-44/h15-20,23-34,47-48H,7-14,21-22,35-40H2,1-6H3,(H,55,59)(H,56,60)(H,57,61)(H,58,62)/t47-,48-/m0/s1