N-[1-(2-aminocarbonylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-6-methyl-5-oxidanylidene-thiomorpholine-3-carboxamide tetrahydrate

Systemtic Name: N-[1-(2-aminocarbonylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-6-methyl-5-oxidanylidene-thiomorpholine-3-carboxamide tetrahydrate Openeye Name: N-[2-(2-carbamoylpyrrolidin-1-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-6-methyl-5-oxo-thiomorpholine-3-carboxamide tetrahydrate CAS Name: N-[1-(2-carbamoyl-1-pyrrolidinyl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-methyl-5-oxo-3-thiomorpholinecarboxamide tetrahydrate IUPAC Name: N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-methyl-5-oxothiomorpholine-3-carboxamide tetrahydrate Traditional Name: N-[2-(2-carbamoylpyrrolidino)-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-5-keto-6-methyl-thiomorpholine-3-carboxamide tetrahydrate Formula: C17H32N6O8S MolecularWeight: 480.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(CS1)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N.O.O.O.O

Isomeric SMILES

CC1C(=O)NC(CS1)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N.O.O.O.O

InChI

InChI=1S/C17H24N6O4S.4H2O/c1-9-15(25)22-12(7-28-9)16(26)21-11(5-10-6-19-8-20-10)17(27)23-4-2-3-13(23)14(18)24;;;;/h6,8-9,11-13H,2-5,7H2,1H3,(H2,18,24)(H,19,20)(H,21,26)(H,22,25);4*1H2