1-[[3-[4-[(1S)-1-[[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2,2-bis(fluoranyl)ethyl]phenyl]phenyl]methyl]cyclobutane-1-carboxylic acid

Systemtic Name: 1-[[3-[4-[(1S)-1-[[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2,2-bis(fluoranyl)ethyl]phenyl]phenyl]methyl]cyclobutane-1-carboxylic acid Openeye Name: 1-[[3-[4-[(1S)-1-[[(1S)-1-[(1-cyanocyclopropyl)carbamoyl]-3-methyl-butyl]amino]-2,2-difluoro-ethyl]phenyl]phenyl]methyl]cyclobutanecarboxylic acid CAS Name: 1-[[3-[4-[(1S)-1-[[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2,2-difluoroethyl]phenyl]phenyl]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 1-[[3-[4-[(1S)-1-[[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2,2-difluoroethyl]phenyl]phenyl]methyl]cyclobutane-1-carboxylic acid Traditional Name: 1-[3-[4-[(1S)-1-[[(1S)-1-[(1-cyanocyclopropyl)carbamoyl]-3-methyl-butyl]amino]-2,2-difluoro-ethyl]phenyl]benzyl]cyclobutanecarboxylic acid Formula: C30H35F2N3O3 MolecularWeight: 523.614006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1(CC1)C#N)NC(C2=CC=C(C=C2)C3=CC(=CC=C3)CC4(CCC4)C(=O)O)C(F)F

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1(CC1)C#N)N[C@@H](C2=CC=C(C=C2)C3=CC(=CC=C3)CC4(CCC4)C(=O)O)C(F)F

InChI

InChI=1S/C30H35F2N3O3/c1-19(2)15-24(27(36)35-30(18-33)13-14-30)34-25(26(31)32)22-9-7-21(8-10-22)23-6-3-5-20(16-23)17-29(28(37)38)11-4-12-29/h3,5-10,16,19,24-26,34H,4,11-15,17H2,1-2H3,(H,35,36)(H,37,38)/t24-,25-/m0/s1