2-[(4R,6R)-4-[4-(phenylcarbamoylamino)benzimidazol-1-yl]-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethylphosphonic acid

Systemtic Name: 2-[(4R,6R)-4-[4-(phenylcarbamoylamino)benzimidazol-1-yl]-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethylphosphonic acid Openeye Name: 2-[(4R,6R)-2-benzyl-4-[4-(phenylcarbamoylamino)benzimidazol-1-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethylphosphonic acid CAS Name: 2-[(4R,6R)-4-[4-[[anilino(oxo)methyl]amino]-1-benzimidazolyl]-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethylphosphonic acid IUPAC Name: 2-[(4R,6R)-2-benzyl-4-[4-(phenylcarbamoylamino)benzimidazol-1-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethylphosphonic acid Traditional Name: 2-[(4R,6R)-2-benzyl-4-[4-(phenylcarbamoylamino)benzimidazol-1-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethylphosphonic acid Formula: C28H29N4O7P MolecularWeight: 564.526221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2OC3C(OC(C3O2)N4C=NC5=C4C=CC=C5NC(=O)NC6=CC=CC=C6)CCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2OC3[C@H](O[C@H](C3O2)N4C=NC5=C4C=CC=C5NC(=O)NC6=CC=CC=C6)CCP(=O)(O)O

InChI

InChI=1S/C28H29N4O7P/c33-28(30-19-10-5-2-6-11-19)31-20-12-7-13-21-24(20)29-17-32(21)27-26-25(22(37-27)14-15-40(34,35)36)38-23(39-26)16-18-8-3-1-4-9-18/h1-13,17,22-23,25-27H,14-16H2,(H2,30,31,33)(H2,34,35,36)/t22-,23?,25?,26?,27-/m1/s1