(3-methylphenyl)methyl (2R)-2-[[(2S,3R,4R,6R)-6-[(4-methoxy-2-oxidanyl-phenyl)methylamino]-4-[(4-methoxyphenyl)methylamino]-7-methyl-3-oxidanyl-5-oxidanylidene-1-phenyl-octan-2-yl]amino]-3,3-dimethyl-butanoate

Systemtic Name: (3-methylphenyl)methyl (2R)-2-[[(2S,3R,4R,6R)-6-[(4-methoxy-2-oxidanyl-phenyl)methylamino]-4-[(4-methoxyphenyl)methylamino]-7-methyl-3-oxidanyl-5-oxidanylidene-1-phenyl-octan-2-yl]amino]-3,3-dimethyl-butanoate Openeye Name: m-tolylmethyl (2R)-2-[[(1S,2R,3R,5R)-1-benzyl-2-hydroxy-5-[(2-hydroxy-4-methoxy-phenyl)methylamino]-3-[(4-methoxyphenyl)methylamino]-6-methyl-4-oxo-heptyl]amino]-3,3-dimethyl-butanoate CAS Name: (2R)-2-[[(2S,3R,4R,6R)-3-hydroxy-6-[(2-hydroxy-4-methoxyphenyl)methylamino]-4-[(4-methoxyphenyl)methylamino]-7-methyl-5-oxo-1-phenyloctan-2-yl]amino]-3,3-dimethylbutanoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl (2R)-2-[[(2S,3R,4R,6R)-3-hydroxy-6-[(2-hydroxy-4-methoxyphenyl)methylamino]-4-[(4-methoxyphenyl)methylamino]-7-methyl-5-oxo-1-phenyloctan-2-yl]amino]-3,3-dimethylbutanoate Traditional Name: (2R)-2-[[(1S,2R,3R,5R)-1-benzyl-2-hydroxy-5-[(2-hydroxy-4-methoxy-benzyl)amino]-4-keto-6-methyl-3-(p-anisylamino)heptyl]amino]-3,3-dimethyl-butyric acid (3-methylbenzyl) ester Formula: C45H59N3O7 MolecularWeight: 753.96586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C(C(C)(C)C)NC(CC2=CC=CC=C2)C(C(C(=O)C(C(C)C)NCC3=C(C=C(C=C3)OC)O)NCC4=CC=C(C=C4)OC)O

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)[C@@H](C(C)(C)C)N[C@@H](CC2=CC=CC=C2)[C@H]([C@H](C(=O)[C@@H](C(C)C)NCC3=C(C=C(C=C3)OC)O)NCC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C45H59N3O7/c1-29(2)39(47-27-34-19-22-36(54-8)25-38(34)49)42(51)40(46-26-32-17-20-35(53-7)21-18-32)41(50)37(24-31-14-10-9-11-15-31)48-43(45(4,5)6)44(52)55-28-33-16-12-13-30(3)23-33/h9-23,25,29,37,39-41,43,46-50H,24,26-28H2,1-8H3/t37-,39+,40+,41+,43-/m0/s1