(2R)-2-(6-azaniumylhexylazaniumyl)-4-oxidanylidene-4-phenylazanyl-butanoate

Systemtic Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: (2R)-4-anilino-2-(6-azaniumylhexylammonio)-4-oxo-butanoate CAS Name: (2R)-2-(6-ammoniohexylammonio)-4-anilino-4-oxobutanoate IUPAC Name: (2R)-4-anilino-2-(6-azaniumylhexylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-2-(6-ammoniohexylammonio)-4-anilino-4-keto-butyrate Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3/c17-10-6-1-2-7-11-18-14(16(21)22)12-15(20)19-13-8-4-3-5-9-13/h3-5,8-9,14,18H,1-2,6-7,10-12,17H2,(H,19,20)(H,21,22)/p+1/t14-/m1/s1