5-[(3aR,6S,6aS)-2-Oxo-1,3,3a,4,6,6a-Hexahydrothieno[3,4-d]Imidazol-6-Yl]-N-[9-[(8-Oxo-7,9-Dioxa-8-Phosphabicyclo[4.4.0]Deca-1,3,5-Trien-8-Yl)Amino]Nonyl]Pentanamide
[CAS# 158040-84-7]

Identification

• Name: 5-[(3aR,6S,6aS)-2-Oxo-1,3,3a,4,6,6a-Hexahydrothieno[3,4-d]Imidazol-6-Yl]-N-[9-[(8-Oxo-7,9-Dioxa-8-Phosphabicyclo[4.4.0]Deca-1,3,5-Trien-8-Yl)Amino]Nonyl]Pentanamide
• Synonyms: 5-[(3Ar,6S,6As)-2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]-N-[9-[(8-Keto-7,9-Dioxa-8$L^{5}-Phosphabicyclo[4.4.0]Deca-1,3,5-Trien-8-Yl)Amino]Nonyl]Valeramide; N-(9-(4H-1,3,2-Benzodioxaphosphorin-2-Ylamino)Nonyl)Hexahydro-2-Oxo-1H-Thieno(3,4-D)Imidazole-4-Pentanamide P-Oxide, (3As-(3Aalpha,4Beta,6Aalpha))-; S9b
• Molecular Formula: C₂₆H₄₁N₄O₅PS
• Molecular Weight: 552.67
• CAS Registry Number: 158040-84-7
• SMILES: [C@H]12NC(=O)N[C@H]1CS[C@H]2CCCCC(=O)NCCCCCCCCCN[P]4(OC3=CC=CC=C3CO4)=O
• InChI: 1S/C26H41N4O5PS/c31-24(15-9-8-14-23-25-21(19-37-23)29-26(32)30-25)27-16-10-4-2-1-3-5-11-17-28-36(33)34-18-20-12-6-7-13-22(20)35-36/h6-7,12-13,21,23,25H,1-5,8-11,14-19H2,(H,27,31)(H,28,33)(H2,29,30,32)/t21-,23-,25-,36?/m0/s1
• InChIKey: JZSQBHPKLLZQAH-NYWSWALVSA-N

Properties

• Density: 1.267g/cm³ (Cal.)