7DL

((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE



Chemical Component Summary

Name((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE
Synonymsmethyl [(5S)-2-chloro-5-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-5,6,7,8,9,10,11,12-octahydro-3H-1,4-(azeno)-3-benzazacyclotetradecin-14-yl]carbamate
Identifiersmethyl ~{N}-[(15~{S})-18-chloranyl-15-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-17,19-diazatricyclo[14.2.1.0^{2,7}]nonadeca-1(18),2,4,6,16(19)-pentaen-5-yl]carbamate
FormulaC29 H30 Cl2 N8 O3
Molecular Weight609.506
TypeNON-POLYMER
Isomeric SMILESCOC(=O)Nc1ccc-2c(c1)CCCCCCC[C@@H](c3[nH]c(c2n3)Cl)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl
InChIInChI=1S/C29H30Cl2N8O3/c1-42-29(41)33-21-11-12-22-18(16-21)7-5-3-2-4-6-8-23(28-35-26(22)27(31)36-28)34-25(40)14-9-19-15-20(30)10-13-24(19)39-17-32-37-38-39/h9-17,23H,2-8H2,1H3,(H,33,41)(H,34,40)(H,35,36)/b14-9+/t23-/m0/s1
InChIKeyOFZZWFXXZYRSIS-PZVJUEDKSA-N

Chemical Details

Formal Charge0
Atom Count72
Chiral Atom Count1
Bond Count76
Aromatic Bond Count22

Related Resource References

Resource NameReference
Pharos CHEMBL4072590
PubChem 66744810
ChEMBL CHEMBL4072590