2-[4-[[[(2S)-1-[(3R)-3-azanyl-4-[3,4-bis(fluoranyl)phenyl]butanoyl]pyrrolidin-2-yl]carbonylamino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[[(2S)-1-[(3R)-3-azanyl-4-[3,4-bis(fluoranyl)phenyl]butanoyl]pyrrolidin-2-yl]carbonylamino]methyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[[(2S)-1-[(3R)-3-amino-4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carbonyl]amino]methyl]phenyl]acetic acid CAS Name: 2-[4-[[[[(2S)-1-[(3R)-3-amino-4-(3,4-difluorophenyl)-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[[[(2S)-1-[(3R)-3-amino-4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carbonyl]amino]methyl]phenyl]acetic acid Traditional Name: 2-[4-[[[(2S)-1-[(3R)-3-amino-4-(3,4-difluorophenyl)butanoyl]prolyl]amino]methyl]phenyl]acetic acid Formula: C24H27F2N3O4 MolecularWeight: 459.485686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(CC2=CC(=C(C=C2)F)F)N)C(=O)NCC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C[C@@H](CC2=CC(=C(C=C2)F)F)N)C(=O)NCC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C24H27F2N3O4/c25-19-8-7-17(11-20(19)26)10-18(27)13-22(30)29-9-1-2-21(29)24(33)28-14-16-5-3-15(4-6-16)12-23(31)32/h3-8,11,18,21H,1-2,9-10,12-14,27H2,(H,28,33)(H,31,32)/t18-,21+/m1/s1