2-[[2-azanyl-2-[(5-oxidanyl-1H-indol-3-yl)methyl]but-3-enoyl]amino]propanoic acid

Systemtic Name: 2-[[2-azanyl-2-[(5-oxidanyl-1H-indol-3-yl)methyl]but-3-enoyl]amino]propanoic acid Openeye Name: 2-[[2-amino-2-[(5-hydroxy-1H-indol-3-yl)methyl]but-3-enoyl]amino]propanoic acid CAS Name: 2-[[2-amino-2-[(5-hydroxy-1H-indol-3-yl)methyl]-1-oxobut-3-enyl]amino]propanoic acid IUPAC Name: 2-[[2-amino-2-[(5-hydroxy-1H-indol-3-yl)methyl]but-3-enoyl]amino]propanoic acid Traditional Name: 2-[[2-amino-2-[(5-hydroxy-1H-indol-3-yl)methyl]but-3-enoyl]amino]propionic acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-3-16(17,15(23)19-9(2)14(21)22)7-10-8-18-13-5-4-11(20)6-12(10)13/h3-6,8-9,18,20H,1,7,17H2,2H3,(H,19,23)(H,21,22)