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

Systemtic Name: [(2S)-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl] (2S,3S)-3-[(3R,4S)-3-(methoxymethoxy)-4-[methyl(phenylmethoxycarbonyl)amino]-5-phenyl-pentanoyl]oxy-2-methyl-decanoate Openeye Name: [(1S)-1-benzyloxycarbonyl-2-methyl-propyl] (2S,3S)-3-[(3R,4S)-4-[benzyloxycarbonyl(methyl)amino]-3-(methoxymethoxy)-5-phenyl-pentanoyl]oxy-2-methyl-decanoate CAS Name: (2S,3S)-3-[(3R,4S)-3-(methoxymethoxy)-4-[methyl(phenylmethoxycarbonyl)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,3S)-3-[(3R,4S)-3-(methoxymethoxy)-4-[methyl(phenylmethoxycarbonyl)amino]-5-phenylpentanoyl]oxy-2-methyldecanoate Traditional Name: (2S,3S)-3-[(3R,4S)-4-[carbobenzoxy(methyl)amino]-3-(methoxymethoxy)-5-phenyl-pentanoyl]oxy-2-methyl-capric acid [(1S)-1-carbobenzoxy-2-methyl-propyl] ester Formula: C45H61NO10 MolecularWeight: 775.96654

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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)OCC3=CC=CC=C3)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)OCC3=CC=CC=C3)OCOC

InChI

InChI=1S/C45H61NO10/c1-7-8-9-10-20-27-39(34(4)43(48)56-42(33(2)3)44(49)52-30-36-23-16-12-17-24-36)55-41(47)29-40(54-32-51-6)38(28-35-21-14-11-15-22-35)46(5)45(50)53-31-37-25-18-13-19-26-37/h11-19,21-26,33-34,38-40,42H,7-10,20,27-32H2,1-6H3/t34-,38-,39-,40+,42-/m0/s1