(phenylmethyl) 3-methyl-2-[[(2S,3R,4R,5S)-5-[(3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl)amino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]amino]butanoate

Systemtic Name: (phenylmethyl) 3-methyl-2-[[(2S,3R,4R,5S)-5-[(3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl)amino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]amino]butanoate Openeye Name: benzyl 2-[[(1S,2R,3R,4S)-1-benzyl-4-[(1-benzyloxycarbonyl-2-methyl-propyl)amino]-2,3-dihydroxy-5-phenyl-pentyl]amino]-3-methyl-butanoate CAS Name: 2-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(3-methyl-1-oxo-1-phenylmethoxybutan-2-yl)amino]-1,6-diphenylhexan-2-yl]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(3-methyl-1-oxo-1-phenylmethoxybutan-2-yl)amino]-1,6-diphenylhexan-2-yl]amino]-3-methylbutanoate Traditional Name: 2-[[(1S,2R,3R,4S)-1-benzyl-4-[(1-carbobenzoxy-2-methyl-propyl)amino]-2,3-dihydroxy-5-phenyl-pentyl]amino]-3-methyl-butyric acid benzyl ester Formula: C42H52N2O6 MolecularWeight: 680.87208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(CC2=CC=CC=C2)C(C(C(CC3=CC=CC=C3)NC(C(C)C)C(=O)OCC4=CC=CC=C4)O)O

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)N[C@@H](CC2=CC=CC=C2)[C@H]([C@@H]([C@H](CC3=CC=CC=C3)NC(C(C)C)C(=O)OCC4=CC=CC=C4)O)O

InChI

InChI=1S/C42H52N2O6/c1-29(2)37(41(47)49-27-33-21-13-7-14-22-33)43-35(25-31-17-9-5-10-18-31)39(45)40(46)36(26-32-19-11-6-12-20-32)44-38(30(3)4)42(48)50-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,43-46H,25-28H2,1-4H3/t35-,36-,37?,38?,39+,40+/m0/s1