2-[[2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoyl]amino]propanoic acid hydrate

Systemtic Name: 2-[[2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoyl]amino]propanoic acid hydrate Openeye Name: 2-[[2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]propanoic acid hydrate CAS Name: 2-[[2-amino-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropyl]amino]propanoic acid hydrate IUPAC Name: 2-[[2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]propanoic acid hydrate Traditional Name: 2-[[2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]propionic acid hydrate Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CC1=CNC2=C1C=C(C=C2)O)N.O

Isomeric SMILES

CC(C(=O)O)NC(=O)C(CC1=CNC2=C1C=C(C=C2)O)N.O

InChI

InChI=1S/C14H17N3O4.H2O/c1-7(14(20)21)17-13(19)11(15)4-8-6-16-12-3-2-9(18)5-10(8)12;/h2-3,5-7,11,16,18H,4,15H2,1H3,(H,17,19)(H,20,21);1H2