(2R)-2-(3-azaniumylpropylazaniumyl)-4-oxidanylidene-4-[(4-propan-2-ylphenyl)amino]butanoate

Systemtic Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-oxidanylidene-4-[(4-propan-2-ylphenyl)amino]butanoate Openeye Name: (2R)-2-(3-azaniumylpropylammonio)-4-(4-isopropylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(3-ammoniopropylammonio)-4-oxo-4-(4-propan-2-ylanilino)butanoate IUPAC Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-oxo-4-(4-propan-2-ylanilino)butanoate Traditional Name: (2R)-2-(3-ammoniopropylammonio)-4-cumidino-4-keto-butyrate Formula: C16H26N3O3+ MolecularWeight: 308.39594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCC[NH3+]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC[NH3+]

InChI

InChI=1S/C16H25N3O3/c1-11(2)12-4-6-13(7-5-12)19-15(20)10-14(16(21)22)18-9-3-8-17/h4-7,11,14,18H,3,8-10,17H2,1-2H3,(H,19,20)(H,21,22)/p+1/t14-/m1/s1