N-[1-(2-aminocarbonylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-imidazolidine-4-carboxamide hydrate

Systemtic Name: N-[1-(2-aminocarbonylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-imidazolidine-4-carboxamide hydrate Openeye Name: N-[2-(2-carbamoylpyrrolidin-1-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-2-oxo-imidazolidine-4-carboxamide hydrate CAS Name: N-[1-(2-carbamoyl-1-pyrrolidinyl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-oxo-4-imidazolidinecarboxamide hydrate IUPAC Name: N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-oxoimidazolidine-4-carboxamide hydrate Traditional Name: N-[2-(2-carbamoylpyrrolidino)-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-2-keto-imidazolidine-4-carboxamide hydrate Formula: C15H23N7O5 MolecularWeight: 381.38702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CNC(=O)N3)C(=O)N.O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CNC(=O)N3)C(=O)N.O

InChI

InChI=1S/C15H21N7O4.H2O/c16-12(23)11-2-1-3-22(11)14(25)9(4-8-5-17-7-19-8)20-13(24)10-6-18-15(26)21-10;/h5,7,9-11H,1-4,6H2,(H2,16,23)(H,17,19)(H,20,24)(H2,18,21,26);1H2