ethyl 4-[[(2S)-2-(2,2-dimethylpropanoylamino)-3-methyl-pentanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2S)-2-(2,2-dimethylpropanoylamino)-3-methyl-pentanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2S)-2-(2,2-dimethylpropanoylamino)-3-methyl-pentanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-1-oxopentyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-(2,2-dimethylpropanoylamino)-3-methylpentanoyl]amino]benzoate Traditional Name: 4-[[(2S)-3-methyl-2-(pivaloylamino)pentanoyl]amino]benzoic acid ethyl ester Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)OCC)NC(=O)C(C)(C)C

Isomeric SMILES

CCC(C)[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)OCC)NC(=O)C(C)(C)C

InChI

InChI=1S/C20H30N2O4/c1-7-13(3)16(22-19(25)20(4,5)6)17(23)21-15-11-9-14(10-12-15)18(24)26-8-2/h9-13,16H,7-8H2,1-6H3,(H,21,23)(H,22,25)/t13?,16-/m0/s1