(2S)-4-(1,3-benzodioxol-5-ylamino)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-2-(3-morpholinopropylammonio)-4-oxo-butanoate CAS Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-2-[3-(4-morpholinyl)propylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-4-keto-2-(3-morpholinopropylammonio)butyrate Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC[NH2+]C(CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)[O-]

Isomeric SMILES

C1COCCN1CCC[NH2+][C@@H](CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)[O-]

InChI

InChI=1S/C18H25N3O6/c22-17(20-13-2-3-15-16(10-13)27-12-26-15)11-14(18(23)24)19-4-1-5-21-6-8-25-9-7-21/h2-3,10,14,19H,1,4-9,11-12H2,(H,20,22)(H,23,24)/t14-/m0/s1