(2S)-2-(6-azanylhexylamino)-4-[(4-ethylphenyl)amino]-4-oxidanylidene-butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCCCCCCN

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[C@@H](C(=O)O)NCCCCCCN

InChI

InChI=1S/C18H29N3O3/c1-2-14-7-9-15(10-8-14)21-17(22)13-16(18(23)24)20-12-6-4-3-5-11-19/h7-10,16,20H,2-6,11-13,19H2,1H3,(H,21,22)(H,23,24)/t16-/m0/s1