methyl (2S)-2-(carbonocyanidoylamino)-3-(1-carbonocyanidoylindol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-(carbonocyanidoylamino)-3-(1-carbonocyanidoylindol-3-yl)propanoate Openeye Name: methyl (2S)-2-(carbonocyanidoylamino)-3-(1-carbonocyanidoylindol-3-yl)propanoate CAS Name: (2S)-2-(carbonocyanidoylamino)-3-(1-carbonocyanidoyl-3-indolyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(carbonocyanidoylamino)-3-(1-carbonocyanidoylindol-3-yl)propanoate Traditional Name: (2S)-2-(carbonocyanidoylamino)-3-(1-carbonocyanidoylindol-3-yl)propionic acid methyl ester Formula: C16H12N4O4 MolecularWeight: 324.29088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)C#N)NC(=O)C#N

Isomeric SMILES

COC(=O)[C@H](CC1=CN(C2=CC=CC=C21)C(=O)C#N)NC(=O)C#N

InChI

InChI=1S/C16H12N4O4/c1-24-16(23)12(19-14(21)7-17)6-10-9-20(15(22)8-18)13-5-3-2-4-11(10)13/h2-5,9,12H,6H2,1H3,(H,19,21)/t12-/m0/s1