ethyl (2S)-3-cyclohexyl-2-[[(2S)-4-methyl-2-(2-phenylethanoylamino)pentanoyl]amino]propanoate

Systemtic Name: ethyl (2S)-3-cyclohexyl-2-[[(2S)-4-methyl-2-(2-phenylethanoylamino)pentanoyl]amino]propanoate Openeye Name: ethyl (2S)-3-cyclohexyl-2-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]propanoate CAS Name: (2S)-3-cyclohexyl-2-[[(2S)-4-methyl-1-oxo-2-[(1-oxo-2-phenylethyl)amino]pentyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-cyclohexyl-2-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]propanoate Traditional Name: (2S)-3-cyclohexyl-2-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]propionic acid ethyl ester Formula: C25H38N2O4 MolecularWeight: 430.58022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1CCCCC1)NC(=O)C(CC(C)C)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C25H38N2O4/c1-4-31-25(30)22(16-19-11-7-5-8-12-19)27-24(29)21(15-18(2)3)26-23(28)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,26,28)(H,27,29)/t21-,22-/m0/s1