(3S)-3-[[(2S)-4-cyclohexyl-2-[(3-methoxyphenyl)carbonylamino]butanoyl]amino]-4-(5-fluoranyl-2,3-dihydroindol-1-yl)butanoic acid

Systemtic Name: (3S)-3-[[(2S)-4-cyclohexyl-2-[(3-methoxyphenyl)carbonylamino]butanoyl]amino]-4-(5-fluoranyl-2,3-dihydroindol-1-yl)butanoic acid Openeye Name: (3S)-3-[[(2S)-4-cyclohexyl-2-[(3-methoxybenzoyl)amino]butanoyl]amino]-4-(5-fluoroindolin-1-yl)butanoic acid CAS Name: (3S)-3-[[(2S)-4-cyclohexyl-2-[[(3-methoxyphenyl)-oxomethyl]amino]-1-oxobutyl]amino]-4-(5-fluoro-2,3-dihydroindol-1-yl)butanoic acid IUPAC Name: (3S)-3-[[(2S)-4-cyclohexyl-2-[(3-methoxybenzoyl)amino]butanoyl]amino]-4-(5-fluoro-2,3-dihydroindol-1-yl)butanoic acid Traditional Name: (3S)-3-[[(2S)-4-cyclohexyl-2-(m-anisoylamino)butanoyl]amino]-4-(5-fluoroindolin-1-yl)butyric acid Formula: C30H38FN3O5 MolecularWeight: 539.638223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(CCC2CCCCC2)C(=O)NC(CC(=O)O)CN3CCC4=C3C=CC(=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N[C@@H](CCC2CCCCC2)C(=O)N[C@@H](CC(=O)O)CN3CCC4=C3C=CC(=C4)F

InChI

InChI=1S/C30H38FN3O5/c1-39-25-9-5-8-22(17-25)29(37)33-26(12-10-20-6-3-2-4-7-20)30(38)32-24(18-28(35)36)19-34-15-14-21-16-23(31)11-13-27(21)34/h5,8-9,11,13,16-17,20,24,26H,2-4,6-7,10,12,14-15,18-19H2,1H3,(H,32,38)(H,33,37)(H,35,36)/t24-,26-/m0/s1