methyl 6-[[(2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoyl]amino]hexanoate

Systemtic Name: methyl 6-[[(2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoyl]amino]hexanoate Openeye Name: methyl 6-[[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]hexanoate CAS Name: 6-[[(2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxobutyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]hexanoate Traditional Name: 6-[[(2S)-3-methyl-2-(o-toluoylamino)butanoyl]amino]hexanoic acid methyl ester Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NCCCCCC(=O)OC

InChI

InChI=1S/C20H30N2O4/c1-14(2)18(22-19(24)16-11-8-7-10-15(16)3)20(25)21-13-9-5-6-12-17(23)26-4/h7-8,10-11,14,18H,5-6,9,12-13H2,1-4H3,(H,21,25)(H,22,24)/t18-/m0/s1