methyl 4-[[(2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoyl]amino]butanoate

Systemtic Name: methyl 4-[[(2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoyl]amino]butanoate Openeye Name: methyl 4-[[(2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]butanoate CAS Name: 4-[[(2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]-1-oxobutyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]butanoate Traditional Name: 4-[[(2S)-3-methyl-2-(m-toluoylamino)butanoyl]amino]butyric acid methyl ester Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NCCCC(=O)OC

InChI

InChI=1S/C18H26N2O4/c1-12(2)16(18(23)19-10-6-9-15(21)24-4)20-17(22)14-8-5-7-13(3)11-14/h5,7-8,11-12,16H,6,9-10H2,1-4H3,(H,19,23)(H,20,22)/t16-/m0/s1