2-azanyl-2-[(5-chloranyl-1H-indol-2-yl)carbonyl]-4-oxidanylidene-4-(4-oxidanylpiperidin-1-yl)butanoic acid

Systemtic Name: 2-azanyl-2-[(5-chloranyl-1H-indol-2-yl)carbonyl]-4-oxidanylidene-4-(4-oxidanylpiperidin-1-yl)butanoic acid Openeye Name: 2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(4-hydroxy-1-piperidyl)-4-oxo-butanoic acid CAS Name: 2-amino-2-[(5-chloro-1H-indol-2-yl)-oxomethyl]-4-(4-hydroxy-1-piperidinyl)-4-oxobutanoic acid IUPAC Name: 2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid Traditional Name: 2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(4-hydroxypiperidino)-4-keto-butyric acid Formula: C18H20ClN3O5 MolecularWeight: 393.8215

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C(=O)CC(C(=O)C2=CC3=C(N2)C=CC(=C3)Cl)(C(=O)O)N

Isomeric SMILES

C1CN(CCC1O)C(=O)CC(C(=O)C2=CC3=C(N2)C=CC(=C3)Cl)(C(=O)O)N

InChI

InChI=1S/C18H20ClN3O5/c19-11-1-2-13-10(7-11)8-14(21-13)16(25)18(20,17(26)27)9-15(24)22-5-3-12(23)4-6-22/h1-2,7-8,12,21,23H,3-6,9,20H2,(H,26,27)