2-azanyl-3-[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-1H-indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-1H-indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[2-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-1H-indol-3-yl]propanoic acid CAS Name: 2-amino-3-[2-[(2-amino-3-hydroxy-3-oxopropyl)thio]-1H-indol-3-yl]propanoic acid IUPAC Name: 2-amino-3-[2-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-1H-indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[2-[(2-amino-3-hydroxy-3-keto-propyl)thio]-1H-indol-3-yl]propionic acid Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)SCC(C(=O)O)N)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)SCC(C(=O)O)N)CC(C(=O)O)N

InChI

InChI=1S/C14H17N3O4S/c15-9(13(18)19)5-8-7-3-1-2-4-11(7)17-12(8)22-6-10(16)14(20)21/h1-4,9-10,17H,5-6,15-16H2,(H,18,19)(H,20,21)