cyclohexyl (4S)-4-[[(2R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]propanoyl]amino]-5-oxidanylidene-5-[[(2R)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]pentanoate

Systemtic Name: cyclohexyl (4S)-4-[[(2R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]propanoyl]amino]-5-oxidanylidene-5-[[(2R)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]pentanoate Openeye Name: cyclohexyl (4S)-4-[[(2R)-2-[[(2S)-6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoyl]amino]propanoyl]amino]-5-[[(1R)-2-benzyloxy-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: (4S)-4-[[(2R)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]-1-oxopropyl]amino]-5-oxo-5-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoic acid cyclohexyl ester IUPAC Name: cyclohexyl (4S)-4-[[(2R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]propanoyl]amino]-5-oxo-5-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate Traditional Name: (4S)-5-[[(1R)-2-benzoxy-2-keto-1-methyl-ethyl]amino]-4-[[(2R)-2-[[(2S)-6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoyl]amino]propanoyl]amino]-5-keto-valeric acid cyclohexyl ester Formula: C43H61N5O11 MolecularWeight: 823.97134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)OC1CCCCC1)C(=O)NC(C)C(=O)OCC2=CC=CC=C2)NC(=O)C(CCCCNC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)N[C@@H](CCC(=O)OC1CCCCC1)C(=O)N[C@H](C)C(=O)OCC2=CC=CC=C2)NC(=O)[C@H](CCCCNC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C43H61N5O11/c1-29(45-38(51)34(48-42(55)59-43(3,4)5)23-15-16-26-44-41(54)57-28-32-19-11-7-12-20-32)37(50)47-35(24-25-36(49)58-33-21-13-8-14-22-33)39(52)46-30(2)40(53)56-27-31-17-9-6-10-18-31/h6-7,9-12,17-20,29-30,33-35H,8,13-16,21-28H2,1-5H3,(H,44,54)(H,45,51)(H,46,52)(H,47,50)(H,48,55)/t29-,30-,34+,35+/m1/s1