(2R)-2-[(3S)-3-acetamido-3-(cyclopropylmethyl)-2-oxidanylidene-pyrrolidin-1-yl]-4-(1,3-benzodioxol-5-yl)-N-[(2S)-1-[3,5-bis(fluoranyl)phenyl]-4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-butan-2-yl]butanamide

Systemtic Name: (2R)-2-[(3S)-3-acetamido-3-(cyclopropylmethyl)-2-oxidanylidene-pyrrolidin-1-yl]-4-(1,3-benzodioxol-5-yl)-N-[(2S)-1-[3,5-bis(fluoranyl)phenyl]-4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-butan-2-yl]butanamide Openeye Name: (2R)-2-[(3S)-3-acetamido-3-(cyclopropylmethyl)-2-oxo-pyrrolidin-1-yl]-4-(1,3-benzodioxol-5-yl)-N-[(1S)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]butanamide CAS Name: (2R)-2-[(3S)-3-acetamido-3-(cyclopropylmethyl)-2-oxo-1-pyrrolidinyl]-4-(1,3-benzodioxol-5-yl)-N-[(2S)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]butanamide IUPAC Name: (2R)-2-[(3S)-3-acetamido-3-(cyclopropylmethyl)-2-oxopyrrolidin-1-yl]-4-(1,3-benzodioxol-5-yl)-N-[(2S)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]butanamide Traditional Name: (2R)-2-[(3S)-3-acetamido-3-(cyclopropylmethyl)-2-keto-pyrrolidino]-4-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(3,5-difluorobenzyl)-2-hydroxy-3-(m-anisylamino)propyl]butyramide Formula: C39H46F2N4O7 MolecularWeight: 720.801946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(CCN(C1=O)C(CCC2=CC3=C(C=C2)OCO3)C(=O)NC(CC4=CC(=CC(=C4)F)F)C(CNCC5=CC(=CC=C5)OC)O)CC6CC6

Isomeric SMILES

CC(=O)N[C@]1(CCN(C1=O)[C@H](CCC2=CC3=C(C=C2)OCO3)C(=O)N[C@@H](CC4=CC(=CC(=C4)F)F)C(CNCC5=CC(=CC=C5)OC)O)CC6CC6

InChI

InChI=1S/C39H46F2N4O7/c1-24(46)44-39(20-26-6-7-26)12-13-45(38(39)49)33(10-8-25-9-11-35-36(18-25)52-23-51-35)37(48)43-32(17-28-14-29(40)19-30(41)15-28)34(47)22-42-21-27-4-3-5-31(16-27)50-2/h3-5,9,11,14-16,18-19,26,32-34,42,47H,6-8,10,12-13,17,20-23H2,1-2H3,(H,43,48)(H,44,46)/t32-,33+,34?,39+/m0/s1