tert-butyl (4S)-4-[[(2S)-3-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-(dipentylamino)-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl (4S)-4-[[(2S)-3-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-(dipentylamino)-5-oxidanylidene-pentanoate Openeye Name: tert-butyl (4S)-4-[[(2S)-2-(benzyloxycarbonylamino)-3-(4-ditert-butoxyphosphoryloxyphenyl)propanoyl]amino]-5-(dipentylamino)-5-oxo-pentanoate CAS Name: (4S)-4-[[(2S)-3-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]phenyl]-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-5-(dipentylamino)-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-[[(2S)-3-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-(dipentylamino)-5-oxopentanoate Traditional Name: (4S)-4-[[(2S)-2-(benzyloxycarbonylamino)-3-(4-ditert-butoxyphosphoryloxyphenyl)propanoyl]amino]-5-(diamylamino)-5-keto-valeric acid tert-butyl ester Formula: C44H70N3O10P MolecularWeight: 832.014461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C(CC1=CC=C(C=C1)OP(=O)(OC(C)(C)C)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)OP(=O)(OC(C)(C)C)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C44H70N3O10P/c1-12-14-19-29-47(30-20-15-13-2)40(50)36(27-28-38(48)54-42(3,4)5)45-39(49)37(46-41(51)53-32-34-21-17-16-18-22-34)31-33-23-25-35(26-24-33)55-58(52,56-43(6,7)8)57-44(9,10)11/h16-18,21-26,36-37H,12-15,19-20,27-32H2,1-11H3,(H,45,49)(H,46,51)/t36-,37-/m0/s1