ethyl 4-cyclohexyl-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxidanylidene-butanoate

Systemtic Name: ethyl 4-cyclohexyl-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxidanylidene-butanoate Openeye Name: ethyl 3-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-cyclohexyl-2-oxo-butanoate CAS Name: 4-cyclohexyl-3-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-2-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-cyclohexyl-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxobutanoate Traditional Name: 3-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-cyclohexyl-2-keto-butyric acid ethyl ester Formula: C26H38N2O6 MolecularWeight: 474.58972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C(CC1CCCCC1)NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(=O)C(CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H38N2O6/c1-4-33-25(31)23(29)21(16-19-11-7-5-8-12-19)27-24(30)22(15-18(2)3)28-26(32)34-17-20-13-9-6-10-14-20/h6,9-10,13-14,18-19,21-22H,4-5,7-8,11-12,15-17H2,1-3H3,(H,27,30)(H,28,32)/t21?,22-/m0/s1