4-[[3-[1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1H-indol-5-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1H-indol-5-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-hydroxy-2-oxo-ethyl]-1H-indol-5-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-[1-[(2S)-2-carbamoyl-1-pyrrolidinyl]-2-hydroxy-2-oxoethyl]-1H-indol-5-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-hydroxy-2-oxoethyl]-1H-indol-5-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-[1-[(2S)-2-carbamoylpyrrolidino]-2-hydroxy-2-keto-ethyl]-1H-indol-5-yl]amino]-4-keto-butyric acid Formula: C19H22N4O6 MolecularWeight: 402.40118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CNC3=C2C=C(C=C3)NC(=O)CCC(=O)O)C(=O)O)C(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C(C2=CNC3=C2C=C(C=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)12-9-21-13-4-3-10(8-11(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)/t14-,17?/m0/s1