(2S)-2-[[(2S)-2,6-bis(azaniumyl)hexanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[(2S)-2,6-bis(azaniumyl)hexanoyl]amino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(2S)-2,6-bis(azaniumyl)hexanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2,6-diammonio-1-oxohexyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(2S)-2,6-bis(azaniumyl)hexanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2,6-diammoniohexanoyl]amino]-3-phenyl-propionate Formula: C15H24N3O3+ MolecularWeight: 294.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O3/c16-9-5-4-8-12(17)14(19)18-13(15(20)21)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,16-17H2,(H,18,19)(H,20,21)/p+1/t12-,13-/m0/s1