(R)-N-((Hexahydro-1-Methyl-2,6-Dioxo-4-Pyrimidinyl)Carbonyl)-L-Histidyl-L-Prolinamide Hydrate
[CAS# 128111-67-1]

Identification

• Name: (R)-N-((Hexahydro-1-Methyl-2,6-Dioxo-4-Pyrimidinyl)Carbonyl)-L-Histidyl-L-Prolinamide Hydrate
• Synonyms: (4R)-N-[(1S)-2-[(2S)-2-Carbamoylpyrrolidin-1-Yl]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]-1-Methyl-2,6-Dioxo-Hexahydropyrimidine-4-Carboxamide; (4R)-N-[(1S)-2-[(2S)-2-Carbamoyl-1-Pyrrolidinyl]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]-1-Methyl-2,6-Dioxo-4-Hexahydropyrimidinecarboxamide; (4R)-N-[(1S)-2-[(2S)-2-Carbamoylpyrrolidin-1-Yl]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]-2,6-Diketo-1-Methyl-Hexahydropyrimidine-4-Carboxamide
• Molecular Formula: C₁₇H₂₃N₇O₅
• Molecular Weight: 405.41
• CAS Registry Number: 128111-67-1
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H]2NC(=O)N(C(=O)C2)C)CC3=CN=C[NH]3)C(=O)N
• InChI: 1S/C17H23N7O5/c1-23-13(25)6-10(22-17(23)29)15(27)21-11(5-9-7-19-8-20-9)16(28)24-4-2-3-12(24)14(18)26/h7-8,10-12H,2-6H2,1H3,(H2,18,26)(H,19,20)(H,21,27)(H,22,29)/t10-,11+,12+/m1/s1
• InChIKey: LQZAIAZUDWIVPM-WOPDTQHZSA-N

Properties

• Density: 1.447g/cm³ (Cal.)