(3R,5R,6R,7S)-7-[[(3R)-6-(3-aminophenyl)-2,2-dimethyl-4-oxidanylidene-hexan-3-yl]amino]-3-[(4-methoxy-2-oxidanyl-phenyl)methylamino]-5-[(4-methoxyphenyl)methylamino]-2-methyl-6-oxidanyl-8-phenyl-octan-4-one

Systemtic Name: (3R,5R,6R,7S)-7-[[(3R)-6-(3-aminophenyl)-2,2-dimethyl-4-oxidanylidene-hexan-3-yl]amino]-3-[(4-methoxy-2-oxidanyl-phenyl)methylamino]-5-[(4-methoxyphenyl)methylamino]-2-methyl-6-oxidanyl-8-phenyl-octan-4-one Openeye Name: (3R,5R,6R,7S)-7-[[(1R)-4-(3-aminophenyl)-1-tert-butyl-2-oxo-butyl]amino]-6-hydroxy-3-[(2-hydroxy-4-methoxy-phenyl)methylamino]-5-[(4-methoxyphenyl)methylamino]-2-methyl-8-phenyl-octan-4-one CAS Name: (3R,5R,6R,7S)-7-[[(3R)-6-(3-aminophenyl)-2,2-dimethyl-4-oxohexan-3-yl]amino]-6-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]-5-[(4-methoxyphenyl)methylamino]-2-methyl-8-phenyl-4-octanone IUPAC Name: (3R,5R,6R,7S)-7-[[(3R)-6-(3-aminophenyl)-2,2-dimethyl-4-oxohexan-3-yl]amino]-6-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]-5-[(4-methoxyphenyl)methylamino]-2-methyl-8-phenyloctan-4-one Traditional Name: (3R,5R,6R,7S)-7-[[(1R)-4-(3-aminophenyl)-1-tert-butyl-2-keto-butyl]amino]-6-hydroxy-3-[(2-hydroxy-4-methoxy-benzyl)amino]-2-methyl-5-(p-anisylamino)-8-phenyl-octan-4-one Formula: C45H60N4O6 MolecularWeight: 752.9811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(C(C(CC1=CC=CC=C1)NC(C(=O)CCC2=CC(=CC=C2)N)C(C)(C)C)O)NCC3=CC=C(C=C3)OC)NCC4=C(C=C(C=C4)OC)O

Isomeric SMILES

CC(C)[C@H](C(=O)[C@@H]([C@@H]([C@H](CC1=CC=CC=C1)N[C@@H](C(=O)CCC2=CC(=CC=C2)N)C(C)(C)C)O)NCC3=CC=C(C=C3)OC)NCC4=C(C=C(C=C4)OC)O

InChI

InChI=1S/C45H60N4O6/c1-29(2)40(48-28-33-19-22-36(55-7)26-39(33)51)43(53)41(47-27-32-16-20-35(54-6)21-17-32)42(52)37(25-30-12-9-8-10-13-30)49-44(45(3,4)5)38(50)23-18-31-14-11-15-34(46)24-31/h8-17,19-22,24,26,29,37,40-42,44,47-49,51-52H,18,23,25,27-28,46H2,1-7H3/t37-,40+,41+,42+,44-/m0/s1