(2S)-4-oxidanylidene-2-(3-propan-2-yloxypropylazaniumyl)-4-(pyridin-3-ylamino)butanoate

Systemtic Name: (2S)-4-oxidanylidene-2-(3-propan-2-yloxypropylazaniumyl)-4-(pyridin-3-ylamino)butanoate Openeye Name: (2S)-2-(3-isopropoxypropylammonio)-4-oxo-4-(3-pyridylamino)butanoate CAS Name: (2S)-4-oxo-2-(3-propan-2-yloxypropylammonio)-4-(3-pyridinylamino)butanoate IUPAC Name: (2S)-4-oxo-2-(3-propan-2-yloxypropylazaniumyl)-4-(pyridin-3-ylamino)butanoate Traditional Name: (2S)-2-(3-isopropoxypropylammonio)-4-keto-4-(3-pyridylamino)butyrate Formula: C15H23N3O4 MolecularWeight: 309.36082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]C(CC(=O)NC1=CN=CC=C1)C(=O)[O-]

Isomeric SMILES

CC(C)OCCC[NH2+][C@@H](CC(=O)NC1=CN=CC=C1)C(=O)[O-]

InChI

InChI=1S/C15H23N3O4/c1-11(2)22-8-4-7-17-13(15(20)21)9-14(19)18-12-5-3-6-16-10-12/h3,5-6,10-11,13,17H,4,7-9H2,1-2H3,(H,18,19)(H,20,21)/t13-/m0/s1