[(3S,4R,5R)-4-methyl-1,3-bis(oxidanyl)octadecan-5-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: [(3S,4R,5R)-4-methyl-1,3-bis(oxidanyl)octadecan-5-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,2S)-2,4-dihydroxy-1-methyl-butyl]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 [(3S,4R,5R)-1,3-dihydroxy-4-methyloctadecan-5-yl] ester IUPAC Name: [(3S,4R,5R)-1,3-dihydroxy-4-methyloctadecan-5-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,2S)-2,4-dihydroxy-1-methyl-butyl]tetradecyl] ester Formula: C43H75N3O10 MolecularWeight: 794.0697

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C(C)C(CCO)O)OC(=O)C(COCC1=CC=CC=C1)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](CCO)O)OC(=O)[C@H](COCC1=CC=CC=C1)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C43H75N3O10/c1-9-10-11-12-13-14-15-16-17-18-22-25-36(31(4)35(49)26-27-47)55-41(52)34(29-54-28-33-23-20-19-21-24-33)44-40(51)38(32(5)48)45-39(50)37(30(2)3)46-42(53)56-43(6,7)8/h19-21,23-24,30-32,34-38,47-49H,9-18,22,25-29H2,1-8H3,(H,44,51)(H,45,50)(H,46,53)/t31-,32-,34+,35+,36-,37+,38+/m1/s1