2-bromoethyl (2R)-3-[4-[5-[(1R)-2-ethoxy-1-[[(2S)-2-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)ethanoyl]amino]-2-oxidanylidene-ethyl]-2-methoxy-phenoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: 2-bromoethyl (2R)-3-[4-[5-[(1R)-2-ethoxy-1-[[(2S)-2-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)ethanoyl]amino]-2-oxidanylidene-ethyl]-2-methoxy-phenoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: 2-bromoethyl (2R)-3-[4-[5-[(1R)-1-[[(2S)-2-(benzyloxycarbonylamino)-2-(4-methoxyphenyl)acetyl]amino]-2-ethoxy-2-oxo-ethyl]-2-methoxy-phenoxy]phenyl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2R)-3-[4-[5-[(1R)-2-ethoxy-1-[[(2S)-2-(4-methoxyphenyl)-1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]-2-oxoethyl]-2-methoxyphenoxy]phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl (2R)-3-[4-[5-[(1R)-2-ethoxy-1-[[(2S)-2-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]-2-oxoethyl]-2-methoxyphenoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2R)-3-[4-[5-[(1R)-1-[[(2S)-2-(benzyloxycarbonylamino)-2-(4-methoxyphenyl)acetyl]amino]-2-ethoxy-2-keto-ethyl]-2-methoxy-phenoxy]phenyl]-2-(tert-butoxycarbonylamino)propionic acid 2-bromoethyl ester Formula: C44H50BrN3O12 MolecularWeight: 892.7847

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC(=C(C=C1)OC)OC2=CC=C(C=C2)CC(C(=O)OCCBr)NC(=O)OC(C)(C)C)NC(=O)C(C3=CC=C(C=C3)OC)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@H](C1=CC(=C(C=C1)OC)OC2=CC=C(C=C2)C[C@H](C(=O)OCCBr)NC(=O)OC(C)(C)C)NC(=O)[C@H](C3=CC=C(C=C3)OC)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C44H50BrN3O12/c1-7-56-41(51)38(47-39(49)37(30-15-20-32(54-5)21-16-30)48-42(52)58-27-29-11-9-8-10-12-29)31-17-22-35(55-6)36(26-31)59-33-18-13-28(14-19-33)25-34(40(50)57-24-23-45)46-43(53)60-44(2,3)4/h8-22,26,34,37-38H,7,23-25,27H2,1-6H3,(H,46,53)(H,47,49)(H,48,52)/t34-,37+,38-/m1/s1