(2S)-4-(1,3-benzodioxol-5-ylamino)-2-[2-(cyclohexen-1-yl)ethylazaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-2-[2-(cyclohexen-1-yl)ethylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-2-[2-(cyclohexen-1-yl)ethylammonio]-4-oxo-butanoate CAS Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-2-[2-(1-cyclohexenyl)ethylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-2-[2-(cyclohexen-1-yl)ethylazaniumyl]-4-oxobutanoate Traditional Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-2-[2-(cyclohexen-1-yl)ethylammonio]-4-keto-butyrate Formula: C19H24N2O5 MolecularWeight: 360.40426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CC[NH2+]C(CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CC[NH2+][C@@H](CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)[O-]

InChI

InChI=1S/C19H24N2O5/c22-18(21-14-6-7-16-17(10-14)26-12-25-16)11-15(19(23)24)20-9-8-13-4-2-1-3-5-13/h4,6-7,10,15,20H,1-3,5,8-9,11-12H2,(H,21,22)(H,23,24)/t15-/m0/s1