4-[[3-[(1S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-ium-1-yl]-2-oxidanidyl-2-oxidanylidene-ethyl]-1H-indol-6-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-[(1S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-ium-1-yl]-2-oxidanidyl-2-oxidanylidene-ethyl]-1H-indol-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-[(1S)-1-[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]-2-oxido-2-oxo-ethyl]-1H-indol-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[3-[(1S)-1-[(2S)-2-carbamoyl-1-pyrrolidin-1-iumyl]-2-oxido-2-oxoethyl]-1H-indol-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[3-[(1S)-1-[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]-2-oxido-2-oxoethyl]-1H-indol-6-yl]amino]-4-oxobutanoate Traditional Name: 4-[[3-[(1S)-1-[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]-2-keto-2-oxido-ethyl]-1H-indol-6-yl]amino]-4-keto-butyrate Formula: C19H21N4O6- MolecularWeight: 401.39324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)C(C2=CNC3=C2C=CC(=C3)NC(=O)CCC(=O)[O-])C(=O)[O-])C(=O)N

Isomeric SMILES

C1C[C@H]([NH+](C1)[C@@H](C2=CNC3=C2C=CC(=C3)NC(=O)CCC(=O)[O-])C(=O)[O-])C(=O)N

InChI

InChI=1S/C19H22N4O6/c20-18(27)14-2-1-7-23(14)17(19(28)29)12-9-21-13-8-10(3-4-11(12)13)22-15(24)5-6-16(25)26/h3-4,8-9,14,17,21H,1-2,5-7H2,(H2,20,27)(H,22,24)(H,25,26)(H,28,29)/p-1/t14-,17-/m0/s1