NWR

(8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione



Chemical Component Summary

Name(8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione
Identifiers(8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione
FormulaC30 H36 Cl N3 O3 S2
Molecular Weight586.208
TypeNON-POLYMER
Isomeric SMILESc1cc2ccc1CSCCC(=O)N[C@H](C(=O)N3CCC[C@@H](C3)C(=O)NC/C=C/CSC2)Cc4ccc(cc4)Cl
InChIInChI=1S/C30H36ClN3O3S2/c31-26-11-9-22(10-12-26)18-27-30(37)34-15-3-4-25(19-34)29(36)32-14-1-2-16-38-20-23-5-7-24(8-6-23)21-39-17-13-28(35)33-27/h1-2,5-12,25,27H,3-4,13-21H2,(H,32,36)(H,33,35)/b2-1+/t25-,27-/m0/s1
InChIKeyPYZAWVLVOFYELK-DXKRRACBSA-N

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count3
Bond Count78
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 169491001