methyl (2S)-3-(4-chlorophenyl)-2-[[(2R)-2-[[(2R)-2-[4-methoxy-3,5-bis(oxidanyl)phenyl]-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoyl]amino]ethanoyl]amino]-2-phenyl-ethanoyl]amino]propanoate

Systemtic Name: methyl (2S)-3-(4-chlorophenyl)-2-[[(2R)-2-[[(2R)-2-[4-methoxy-3,5-bis(oxidanyl)phenyl]-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoyl]amino]ethanoyl]amino]-2-phenyl-ethanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-2-phenyl-acetyl]amino]-2-(3,5-dihydroxy-4-methoxy-phenyl)acetyl]amino]-2-phenyl-acetyl]amino]-3-(4-chlorophenyl)propanoate CAS Name: (2S)-3-(4-chlorophenyl)-2-[[(2R)-2-[[(2R)-2-(3,5-dihydroxy-4-methoxyphenyl)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-1-oxoethyl]amino]-1-oxo-2-phenylethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-chlorophenyl)-2-[[(2R)-2-[[(2R)-2-(3,5-dihydroxy-4-methoxyphenyl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]acetyl]amino]-2-phenylacetyl]amino]propanoate Traditional Name: (2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-2-phenyl-acetyl]amino]-2-(3,5-dihydroxy-4-methoxy-phenyl)acetyl]amino]-2-phenyl-acetyl]amino]-3-(4-chlorophenyl)propionic acid methyl ester Formula: C40H43ClN4O10 MolecularWeight: 775.24322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)NC(C2=CC(=C(C(=C2)O)OC)O)C(=O)NC(C3=CC=CC=C3)C(=O)NC(CC4=CC=C(C=C4)Cl)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C1=CC=CC=C1)C(=O)N[C@H](C2=CC(=C(C(=C2)O)OC)O)C(=O)N[C@H](C3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=C(C=C4)Cl)C(=O)OC

InChI

InChI=1S/C40H43ClN4O10/c1-40(2,3)55-39(52)45-32(25-14-10-7-11-15-25)36(49)44-33(26-21-29(46)34(53-4)30(47)22-26)37(50)43-31(24-12-8-6-9-13-24)35(48)42-28(38(51)54-5)20-23-16-18-27(41)19-17-23/h6-19,21-22,28,31-33,46-47H,20H2,1-5H3,(H,42,48)(H,43,50)(H,44,49)(H,45,52)/t28-,31+,32-,33+/m0/s1