(2S)-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]butanedioate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]butanedioate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]butanedioate CAS Name: (2S)-2-[[(2S)-2-ammonio-3-(1H-indol-3-yl)-1-oxopropyl]amino]butanedioate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]butanedioate Traditional Name: (2S)-2-[[(2S)-2-ammonio-3-(1H-indol-3-yl)propanoyl]amino]succinate Formula: C15H16N3O5- MolecularWeight: 318.30464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC(=O)[O-])C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])[NH3+]

InChI

InChI=1S/C15H17N3O5/c16-10(14(21)18-12(15(22)23)6-13(19)20)5-8-7-17-11-4-2-1-3-9(8)11/h1-4,7,10,12,17H,5-6,16H2,(H,18,21)(H,19,20)(H,22,23)/p-1/t10-,12-/m0/s1