(2S)-2-(6-azanylhexylamino)-4-[(3,5-dimethylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-(6-azanylhexylamino)-4-[(3,5-dimethylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-(6-aminohexylamino)-4-(3,5-dimethylanilino)-4-oxo-butanoic acid CAS Name: (2S)-2-(6-aminohexylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid IUPAC Name: (2S)-2-(6-aminohexylamino)-4-(3,5-dimethylanilino)-4-oxobutanoic acid Traditional Name: (2S)-2-(6-aminohexylamino)-4-(3,5-dimethylanilino)-4-keto-butyric acid Formula: C18H29N3O3 MolecularWeight: 335.44116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3/c1-13-9-14(2)11-15(10-13)21-17(22)12-16(18(23)24)20-8-6-4-3-5-7-19/h9-11,16,20H,3-8,12,19H2,1-2H3,(H,21,22)(H,23,24)/t16-/m0/s1