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

Systemtic Name: (2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxidanylidene-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-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-[[(1S)-2-phenyl-1-thiazol-2-yl-ethyl]amino]propyl]pyrrolidin-1-yl]-4-oxo-1-propyl-butyl]-N,3-dimethyl-butanamide CAS Name: (2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-1-oxobutyl]amino]-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(2-thiazolyl)ethyl]amino]propyl]-1-pyrrolidinyl]-1-oxoheptan-4-yl]-N,3-dimethylbutanamide IUPAC Name: (2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-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-[[(1S)-2-phenyl-1-thiazol-2-yl-ethyl]amino]propyl]pyrrolidino]-2-methoxy-1-propyl-butyl]-N,3-dimethyl-butyramide Formula: C41H66N6O6S MolecularWeight: 771.06434

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C

Isomeric SMILES

CCC[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C

InChI

InChI=1S/C41H66N6O6S/c1-12-17-31(46(9)41(51)35(26(2)3)44-39(50)36(27(4)5)45(7)8)33(52-10)25-34(48)47-22-16-20-32(47)37(53-11)28(6)38(49)43-30(40-42-21-23-54-40)24-29-18-14-13-15-19-29/h13-15,18-19,21,23,26-28,30-33,35-37H,12,16-17,20,22,24-25H2,1-11H3,(H,43,49)(H,44,50)/t28-,30+,31+,32+,33-,35+,36+,37-/m1/s1