[(2R,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]hexadecan-3-yl] (2S)-2-[[(2S,3R)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenylmethoxy-propanoate

Systemtic Name: [(2R,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]hexadecan-3-yl] (2S)-2-[[(2S,3R)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenylmethoxy-propanoate Openeye Name: [(1R)-1-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]tetradecyl] (2S)-3-benzyloxy-2-[[(2S,3R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-1-oxobutyl]amino]-3-phenylmethoxypropanoic acid [(2R,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]hexadecan-3-yl] ester IUPAC Name: [(2R,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]hexadecan-3-yl] (2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]-3-phenylmethoxypropanoate Traditional Name: (2S)-3-benzoxy-2-[[(2S,3R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]propionic acid [(1R)-1-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]tetradecyl] ester Formula: C46H79N3O10 MolecularWeight: 834.13356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C(C)C1CCOC(O1)(C)C)OC(=O)C(COCC2=CC=CC=C2)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC[C@H]([C@H](C)[C@@H]1CCOC(O1)(C)C)OC(=O)[C@H](COCC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C46H79N3O10/c1-11-12-13-14-15-16-17-18-19-20-24-27-37(33(4)38-28-29-56-46(9,10)58-38)57-43(53)36(31-55-30-35-25-22-21-23-26-35)47-42(52)40(34(5)50)48-41(51)39(32(2)3)49-44(54)59-45(6,7)8/h21-23,25-26,32-34,36-40,50H,11-20,24,27-31H2,1-10H3,(H,47,52)(H,48,51)(H,49,54)/t33-,34+,36-,37+,38-,39-,40-/m0/s1