[(2S)-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl] (2S,3R)-3-[(3R,4S)-3-(methoxymethoxy)-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-pentanoyl]oxy-2-methyl-decanoate

Systemtic Name: [(2S)-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl] (2S,3R)-3-[(3R,4S)-3-(methoxymethoxy)-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-pentanoyl]oxy-2-methyl-decanoate Openeye Name: [(1S)-1-benzyloxycarbonyl-2-methyl-propyl] (2S,3R)-3-[(3R,4S)-4-[tert-butoxycarbonyl(methyl)amino]-3-(methoxymethoxy)-5-phenyl-pentanoyl]oxy-2-methyl-decanoate CAS Name: (2S,3R)-3-[(3R,4S)-3-(methoxymethoxy)-4-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-5-phenylpentoxy]-2-methyldecanoic acid [(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl] ester IUPAC Name: [(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl] (2S,3R)-3-[(3R,4S)-3-(methoxymethoxy)-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenylpentanoyl]oxy-2-methyldecanoate Traditional Name: (2S,3R)-3-[(3R,4S)-4-[tert-butoxycarbonyl(methyl)amino]-3-(methoxymethoxy)-5-phenyl-pentanoyl]oxy-2-methyl-capric acid [(1S)-1-carbobenzoxy-2-methyl-propyl] ester Formula: C42H63NO10 MolecularWeight: 741.95032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(C)C(=O)OC(C(C)C)C(=O)OCC1=CC=CC=C1)OC(=O)CC(C(CC2=CC=CC=C2)N(C)C(=O)OC(C)(C)C)OCOC

Isomeric SMILES

CCCCCCC[C@H]([C@H](C)C(=O)O[C@@H](C(C)C)C(=O)OCC1=CC=CC=C1)OC(=O)C[C@H]([C@H](CC2=CC=CC=C2)N(C)C(=O)OC(C)(C)C)OCOC

InChI

InChI=1S/C42H63NO10/c1-10-11-12-13-20-25-35(31(4)39(45)52-38(30(2)3)40(46)49-28-33-23-18-15-19-24-33)51-37(44)27-36(50-29-48-9)34(26-32-21-16-14-17-22-32)43(8)41(47)53-42(5,6)7/h14-19,21-24,30-31,34-36,38H,10-13,20,25-29H2,1-9H3/t31-,34-,35+,36+,38-/m0/s1