(2R)-2-[[(2R)-3-(3-methanoylindol-1-yl)-2-oxidanyl-propyl]azaniumyl]butanoate

Systemtic Name: (2R)-2-[[(2R)-3-(3-methanoylindol-1-yl)-2-oxidanyl-propyl]azaniumyl]butanoate Openeye Name: (2R)-2-[[(2R)-3-(3-formylindol-1-yl)-2-hydroxy-propyl]ammonio]butanoate CAS Name: (2R)-2-[[(2R)-3-(3-formyl-1-indolyl)-2-hydroxypropyl]ammonio]butanoate IUPAC Name: (2R)-2-[[(2R)-3-(3-formylindol-1-yl)-2-hydroxypropyl]azaniumyl]butanoate Traditional Name: (2R)-2-[[(2R)-3-(3-formylindol-1-yl)-2-hydroxy-propyl]ammonio]butyrate Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])[NH2+]CC(CN1C=C(C2=CC=CC=C21)C=O)O

Isomeric SMILES

CC[C@H](C(=O)[O-])[NH2+]C[C@H](CN1C=C(C2=CC=CC=C21)C=O)O

InChI

InChI=1S/C16H20N2O4/c1-2-14(16(21)22)17-7-12(20)9-18-8-11(10-19)13-5-3-4-6-15(13)18/h3-6,8,10,12,14,17,20H,2,7,9H2,1H3,(H,21,22)/t12-,14-/m1/s1