(phenylmethyl) 2-[[(2S)-2-(cyclohexylcarbonylamino)-3-methyl-butanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[(2S)-2-(cyclohexylcarbonylamino)-3-methyl-butanoyl]amino]ethanoate Openeye Name: benzyl 2-[[(2S)-2-(cyclohexanecarbonylamino)-3-methyl-butanoyl]amino]acetate CAS Name: 2-[[(2S)-2-[[cyclohexyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-(cyclohexanecarbonylamino)-3-methyl-butanoyl]amino]acetic acid benzyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)C2CCCCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)C2CCCCC2

InChI

InChI=1S/C21H30N2O4/c1-15(2)19(23-20(25)17-11-7-4-8-12-17)21(26)22-13-18(24)27-14-16-9-5-3-6-10-16/h3,5-6,9-10,15,17,19H,4,7-8,11-14H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1