methyl 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-2-(5-oxidanylidenepyrrolidin-2-yl)carbonyl-piperidine-2-carboxylate

Systemtic Name: methyl 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-2-(5-oxidanylidenepyrrolidin-2-yl)carbonyl-piperidine-2-carboxylate Openeye Name: methyl 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylate CAS Name: 1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-[oxo-(5-oxo-2-pyrrolidinyl)methyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylate Traditional Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-pyroglutamoyl-pipecolinic acid methyl ester Formula: C18H25N5O5 MolecularWeight: 391.4216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCN1C(=O)C(CC2=CN=CN2)N)C(=O)C3CCC(=O)N3

Isomeric SMILES

COC(=O)C1(CCCCN1C(=O)C(CC2=CN=CN2)N)C(=O)C3CCC(=O)N3

InChI

InChI=1S/C18H25N5O5/c1-28-17(27)18(15(25)13-4-5-14(24)22-13)6-2-3-7-23(18)16(26)12(19)8-11-9-20-10-21-11/h9-10,12-13H,2-8,19H2,1H3,(H,20,21)(H,22,24)