(3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; (2S)-2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; (2S)-2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: (3R)-3-acetoxy-4-(trimethylammonio)butanoate; (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: (3R)-3-acetyloxy-4-(trimethylammonio)butanoate; (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: (3R)-3-acetoxy-4-(trimethylammonio)butyrate; (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C20H29N3O7 MolecularWeight: 423.46016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C.C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N

Isomeric SMILES

CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C1=CC2=C(C=C1O)C(=CN2)C[C@@H](C(=O)O)N

InChI

InChI=1S/C11H12N2O3.C9H17NO4/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10;1-7(11)14-8(5-9(12)13)6-10(2,3)4/h1-2,4-5,9,13-14H,3,12H2,(H,15,16);8H,5-6H2,1-4H3/t9-;8-/m01/s1