(2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxidanylidene-3-(3-phenylpropylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxidanylidene-heptan-4-yl]-N,3-dimethyl-butanamide

Systemtic Name: (2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxidanylidene-3-(3-phenylpropylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxidanylidene-heptan-4-yl]-N,3-dimethyl-butanamide Openeye Name: (2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-N-[(1S,2R)-2-methoxy-4-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(3-phenylpropylamino)propyl]pyrrolidin-1-yl]-1-[(1S)-1-methylpropyl]-4-oxo-butyl]-N,3-dimethyl-butanamide CAS Name: (2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-1-oxobutyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(3-phenylpropylamino)propyl]-1-pyrrolidinyl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide IUPAC Name: (2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(3-phenylpropylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide Traditional Name: (2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-N-[(1S,2R)-4-keto-4-[(2S)-2-[(1R,2R)-3-keto-1-methoxy-2-methyl-3-(3-phenylpropylamino)propyl]pyrrolidino]-2-methoxy-1-[(1S)-1-methylpropyl]butyl]-N,3-dimethyl-butyramide Formula: C40H69N5O6 MolecularWeight: 716.00576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NCCCC2=CC=CC=C2)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(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)NCCCC2=CC=CC=C2)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C

InChI

InChI=1S/C40H69N5O6/c1-13-28(6)36(44(10)40(49)34(26(2)3)42-39(48)35(27(4)5)43(8)9)32(50-11)25-33(46)45-24-18-22-31(45)37(51-12)29(7)38(47)41-23-17-21-30-19-15-14-16-20-30/h14-16,19-20,26-29,31-32,34-37H,13,17-18,21-25H2,1-12H3,(H,41,47)(H,42,48)/t28-,29+,31-,32+,34-,35-,36-,37+/m0/s1