[(2S,3S,4S,5R)-2,4-dimethyl-1,3-di(propan-2-yloxy)octadecan-5-yl] (2S)-2-[[(2S,3R)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenylmethoxy-propanoate

Systemtic Name: [(2S,3S,4S,5R)-2,4-dimethyl-1,3-di(propan-2-yloxy)octadecan-5-yl] (2S)-2-[[(2S,3R)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenylmethoxy-propanoate Openeye Name: [(1R)-1-[(1S,2S,3S)-2,4-diisopropoxy-1,3-dimethyl-butyl]tetradecyl] (2S)-3-benzyloxy-2-[[(2S,3R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-1-oxobutyl]amino]-3-phenylmethoxypropanoic acid [(2S,3S,4S,5R)-2,4-dimethyl-1,3-di(propan-2-yloxy)octadecan-5-yl] ester IUPAC Name: [(2S,3S,4S,5R)-2,4-dimethyl-1,3-di(propan-2-yloxy)octadecan-5-yl] (2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoyl]amino]-3-phenylmethoxypropanoate Traditional Name: (2S)-3-benzoxy-2-[[(2S,3R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]propionic acid [(1R)-1-[(1S,2S,3S)-2,4-diisopropoxy-1,3-dimethyl-butyl]tetradecyl] ester Formula: C51H91N3O10 MolecularWeight: 906.28234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C(C)C(C(C)COC(C)C)OC(C)C)OC(=O)C(COCC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC[C@H]([C@H](C)[C@H]([C@@H](C)COC(C)C)OC(C)C)OC(=O)[C@H](COCC1=CC=CC=C1)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C51H91N3O10/c1-14-15-16-17-18-19-20-21-22-23-27-30-44(39(9)46(62-37(6)7)38(8)32-61-36(4)5)63-49(58)43(34-60-33-41-28-25-24-26-29-41)52-48(57)45(40(10)55)54-47(56)42(31-35(2)3)53-50(59)64-51(11,12)13/h24-26,28-29,35-40,42-46,55H,14-23,27,30-34H2,1-13H3,(H,52,57)(H,53,59)(H,54,56)/t38-,39-,40+,42-,43-,44+,45-,46-/m0/s1