2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]ethanesulfonic acid Openeye Name: 2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]ethanesulfonic acid CAS Name: 2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]ethanesulfonic acid Traditional Name: 2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]ethanesulfonic acid Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCCS(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCCS(=O)(=O)O)N

InChI

InChI=1S/C13H17N3O4S/c14-11(13(17)15-5-6-21(18,19)20)7-9-8-16-12-4-2-1-3-10(9)12/h1-4,8,11,16H,5-7,14H2,(H,15,17)(H,18,19,20)