(2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(4-ethanoylphenoxy)-3-phenyl-propan-2-yl]amino]-1-methoxy-2-methyl-3-oxidanylidene-propyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxidanylidene-heptan-4-yl]-N,6-dimethyl-4-oxidanylidene-2-propan-2-yl-heptanamide

Systemtic Name: (2S,5S)-5-(dimethylamino)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(4-ethanoylphenoxy)-3-phenyl-propan-2-yl]amino]-1-methoxy-2-methyl-3-oxidanylidene-propyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxidanylidene-heptan-4-yl]-N,6-dimethyl-4-oxidanylidene-2-propan-2-yl-heptanamide Openeye Name: (2S,5S)-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1S)-1-[(4-acetylphenoxy)methyl]-2-phenyl-ethyl]amino]-1-methoxy-2-methyl-3-oxo-propyl]pyrrolidin-1-yl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxo-butyl]-5-(dimethylamino)-2-isopropyl-N,6-dimethyl-4-oxo-heptanamide CAS Name: (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(4-acetylphenoxy)-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide IUPAC Name: (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(4-acetylphenoxy)-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide Traditional Name: (2S,5S)-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1S)-1-[(4-acetylphenoxy)methyl]-2-phenyl-ethyl]amino]-3-keto-1-methoxy-2-methyl-propyl]pyrrolidino]-4-keto-2-methoxy-1-[(1S)-1-methylpropyl]butyl]-5-(dimethylamino)-2-isopropyl-4-keto-N,6-dimethyl-enanthamide Formula: C49H76N4O8 MolecularWeight: 849.14974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)COC3=CC=C(C=C3)C(=O)C)OC)OC)N(C)C(=O)C(CC(=O)C(C(C)C)N(C)C)C(C)C

Isomeric SMILES

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)COC3=CC=C(C=C3)C(=O)C)OC)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C

InChI

InChI=1S/C49H76N4O8/c1-14-33(6)46(52(11)49(58)40(31(2)3)28-42(55)45(32(4)5)51(9)10)43(59-12)29-44(56)53-26-18-21-41(53)47(60-13)34(7)48(57)50-38(27-36-19-16-15-17-20-36)30-61-39-24-22-37(23-25-39)35(8)54/h15-17,19-20,22-25,31-34,38,40-41,43,45-47H,14,18,21,26-30H2,1-13H3,(H,50,57)/t33-,34+,38-,40-,41-,43+,45-,46-,47+/m0/s1