(2S)-3-methyl-2-(2-phenylethanoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide

Systemtic Name: (2S)-3-methyl-2-(2-phenylethanoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide Openeye Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide IUPAC Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3,4,5-trimethoxybenzyl)butyramide Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC(=C(C(=C1)OC)OC)OC)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC(=C(C(=C1)OC)OC)OC)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C23H30N2O5/c1-15(2)21(25-20(26)13-16-9-7-6-8-10-16)23(27)24-14-17-11-18(28-3)22(30-5)19(12-17)29-4/h6-12,15,21H,13-14H2,1-5H3,(H,24,27)(H,25,26)/t21-/m0/s1