(2S)-3-(1H-indol-2-yl)-2-[[(3S,4R)-4-methyl-4-oxidanyl-oxan-3-yl]azaniumyl]propanoate

Systemtic Name: (2S)-3-(1H-indol-2-yl)-2-[[(3S,4R)-4-methyl-4-oxidanyl-oxan-3-yl]azaniumyl]propanoate Openeye Name: (2S)-2-[[(3S,4R)-4-hydroxy-4-methyl-tetrahydropyran-3-yl]ammonio]-3-(1H-indol-2-yl)propanoate CAS Name: (2S)-2-[[(3S,4R)-4-hydroxy-4-methyl-3-oxanyl]ammonio]-3-(1H-indol-2-yl)propanoate IUPAC Name: (2S)-2-[[(3S,4R)-4-hydroxy-4-methyloxan-3-yl]azaniumyl]-3-(1H-indol-2-yl)propanoate Traditional Name: (2S)-2-[[(3S,4R)-4-hydroxy-4-methyl-tetrahydropyran-3-yl]ammonio]-3-(1H-indol-2-yl)propionate Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOCC1[NH2+]C(CC2=CC3=CC=CC=C3N2)C(=O)[O-])O

Isomeric SMILES

C[C@]1(CCOC[C@@H]1[NH2+][C@@H](CC2=CC3=CC=CC=C3N2)C(=O)[O-])O

InChI

InChI=1S/C17H22N2O4/c1-17(22)6-7-23-10-15(17)19-14(16(20)21)9-12-8-11-4-2-3-5-13(11)18-12/h2-5,8,14-15,18-19,22H,6-7,9-10H2,1H3,(H,20,21)/t14-,15-,17+/m0/s1