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

Systemtic Name: methyl (2S)-3-cyclohexyl-2-[[(2S)-4-methyl-2-(2-phenylethanoylamino)pentanoyl]amino]propanoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C24H36N2O4 MolecularWeight: 416.55364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O4/c1-17(2)14-20(25-22(27)16-19-12-8-5-9-13-19)23(28)26-21(24(29)30-3)15-18-10-6-4-7-11-18/h5,8-9,12-13,17-18,20-21H,4,6-7,10-11,14-16H2,1-3H3,(H,25,27)(H,26,28)/t20-,21-/m0/s1