(2S)-2-(3-azanylpropylamino)-4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-(3-azanylpropylamino)-4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-(3-aminopropylamino)-4-(3,4-dimethylanilino)-4-oxo-butanoic acid CAS Name: (2S)-2-(3-aminopropylamino)-4-(3,4-dimethylanilino)-4-oxobutanoic acid IUPAC Name: (2S)-2-(3-aminopropylamino)-4-(3,4-dimethylanilino)-4-oxobutanoic acid Traditional Name: (2S)-2-(3-aminopropylamino)-4-(3,4-dimethylanilino)-4-keto-butyric acid Formula: C15H23N3O3 MolecularWeight: 293.36142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC(C(=O)O)NCCCN)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[C@@H](C(=O)O)NCCCN)C

InChI

InChI=1S/C15H23N3O3/c1-10-4-5-12(8-11(10)2)18-14(19)9-13(15(20)21)17-7-3-6-16/h4-5,8,13,17H,3,6-7,9,16H2,1-2H3,(H,18,19)(H,20,21)/t13-/m0/s1