methyl (2S)-2-(carbonocyanidoylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-(carbonocyanidoylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-(carbonocyanidoylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-(carbonocyanidoylamino)-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(carbonocyanidoylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-(carbonocyanidoylamino)-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C#N

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C#N

InChI

InChI=1S/C14H13N3O3/c1-20-14(19)12(17-13(18)7-15)6-9-8-16-11-5-3-2-4-10(9)11/h2-5,8,12,16H,6H2,1H3,(H,17,18)/t12-/m0/s1