methyl 4-[[[(2R)-2-(cyclohexylcarbonylamino)-3-methyl-butanoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[(2R)-2-(cyclohexylcarbonylamino)-3-methyl-butanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[(2R)-2-(cyclohexanecarbonylamino)-3-methyl-butanoyl]amino]methyl]benzoate CAS Name: 4-[[[(2R)-2-[[cyclohexyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(2R)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]amino]methyl]benzoate Traditional Name: 4-[[[(2R)-2-(cyclohexanecarbonylamino)-3-methyl-butanoyl]amino]methyl]benzoic acid methyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)C(=O)OC)NC(=O)C2CCCCC2

Isomeric SMILES

CC(C)[C@H](C(=O)NCC1=CC=C(C=C1)C(=O)OC)NC(=O)C2CCCCC2

InChI

InChI=1S/C21H30N2O4/c1-14(2)18(23-19(24)16-7-5-4-6-8-16)20(25)22-13-15-9-11-17(12-10-15)21(26)27-3/h9-12,14,16,18H,4-8,13H2,1-3H3,(H,22,25)(H,23,24)/t18-/m1/s1