(3S)-3-[[(2S)-2-(3-cyclohexylpropanoylamino)-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-phenyl-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-(3-cyclohexylpropanoylamino)-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-phenyl-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-(3-cyclohexylpropanoylamino)-4-methyl-pentanoyl]amino]-2-oxo-4-phenyl-butanoic acid CAS Name: (3S)-3-[[(2S)-2-[(3-cyclohexyl-1-oxopropyl)amino]-4-methyl-1-oxopentyl]amino]-2-oxo-4-phenylbutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoyl]amino]-2-oxo-4-phenylbutanoic acid Traditional Name: (3S)-3-[[(2S)-2-(3-cyclohexylpropanoylamino)-4-methyl-pentanoyl]amino]-2-keto-4-phenyl-butyric acid Formula: C25H36N2O5 MolecularWeight: 444.56374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)C(=O)O)NC(=O)CCC2CCCCC2

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(=O)O)NC(=O)CCC2CCCCC2

InChI

InChI=1S/C25H36N2O5/c1-17(2)15-21(26-22(28)14-13-18-9-5-3-6-10-18)24(30)27-20(23(29)25(31)32)16-19-11-7-4-8-12-19/h4,7-8,11-12,17-18,20-21H,3,5-6,9-10,13-16H2,1-2H3,(H,26,28)(H,27,30)(H,31,32)/t20-,21-/m0/s1