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

Systemtic Name: methyl (3S)-3-[[(2S)-2-(3-cyclohexylpropanoylamino)-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-phenyl-butanoate Openeye Name: methyl (3S)-3-[[(2S)-2-(3-cyclohexylpropanoylamino)-4-methyl-pentanoyl]amino]-2-oxo-4-phenyl-butanoate CAS Name: (3S)-3-[[(2S)-2-[(3-cyclohexyl-1-oxopropyl)amino]-4-methyl-1-oxopentyl]amino]-2-oxo-4-phenylbutanoic acid methyl ester IUPAC Name: methyl (3S)-3-[[(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoyl]amino]-2-oxo-4-phenylbutanoate Traditional Name: (3S)-3-[[(2S)-2-(3-cyclohexylpropanoylamino)-4-methyl-pentanoyl]amino]-2-keto-4-phenyl-butyric acid methyl ester Formula: C26H38N2O5 MolecularWeight: 458.59032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O5/c1-18(2)16-22(27-23(29)15-14-19-10-6-4-7-11-19)25(31)28-21(24(30)26(32)33-3)17-20-12-8-5-9-13-20/h5,8-9,12-13,18-19,21-22H,4,6-7,10-11,14-17H2,1-3H3,(H,27,29)(H,28,31)/t21-,22-/m0/s1