Cas no 126452-98-0 (lissoclinamide 8)

lissoclinamide 8 structure
lissoclinamide 8 structure
Product Name:lissoclinamide 8
CAS No:126452-98-0
MF:C38H43N7O5S2
MW:741.921925783157
CID:181245
Update Time:2024-02-28

lissoclinamide 8 Chemical and Physical Properties

Names and Identifiers

    • 3H,12H-4,1:11,8:18,15-Trinitrilo-1H-pyrrolo[2,1-c][1,11,18,4,7,14,21]oxadithiatetraazacyclotetracosine-5,12,19,22(4H)-tetrone,6,7,13,14,20,21,24,25,26,26a-decahydro-3-methyl-7-(1-methylethyl)-14,21-bis(phenylmethyl)-,(4S,26aS)- (9CI)
    • 3H,12H-4,1:11,8:18,15-Trinitrilo-1H-pyrrolo[2,1-c][1,11,18,4,7,14,21]oxadithiatetraazacyclotet...
    • 3H,12H-4,1:11,8:18,15-Trinitrilo-1H-pyrrolo[2,1-c][1,11,18,4,7,14,21]oxadithiatetraazacyclotetracosine-5,12,19,22(4H)-tetrone
    • 3H,12H-4,1:11,8:18,15-Trinitrilo-1H-pyrrolo[2,1-c][1,11,18,4,7,14,21]oxadithiatetraazacyclotetracosine-5,12,19,22(4H)-tetrone,6,7,13,14,20,21,24,25,26,26a-decahydro-3-methyl-7-(1-methylethyl)-14,21-bi
    • Lissoclinamide 8
    • (3xi,7xi,14xi,21xi)-7-De(1-methylpropyl)-10,11-dihydro-7-(1-methylethyl)-36-phenylulicyclamide
    • 8,15-dibenzyl-26-methyl-22-(propan-2-yl)-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptaazapentacyclo[23.2.1.1~11,14~.1~18,21~.0~2,6~]triaconta-1(28),11,14(30),21(29)-tetraene-7,10,17,24-tetrone (non-preferred name)
    • Ulicyclamide, 7-de(1-methylpropyl)-10,11-dihydro-7-(1-methylethyl)-36-phenyl-, (3xi,7xi,14xi,21xi)-
    • CID 100927676
    • 3H,12H-4,1:11,8:18,15-Trinitrilo-1H-pyrrolo[2,1-c][1,11,18,4,7,14,21]oxadithiatetraazacyclotetracosine-5,12,19,22(4H)-tetrone, 6,7,13,14,20,21,24,25,26,26a-decahydro-3-methyl-7-(1-methylethyl)-14,21-bis(phenylmethyl)-, (4S,26aS)- (9CI)
    • lissoclinamide 8
    • Inchi： 1S/C38H43N7O5S2/c1-21(2)30-37-42-28(20-52-37)32(46)39-25(17-23-11-6-4-7-12-23)36-41-27(19-51-36)33(47)40-26(18-24-13-8-5-9-14-24)38(49)45-16-10-15-29(45)35-44-31(22(3)50-35)34(48)43-30/h4-9,11-14,19,21-22,25-26,28-31H,10,15-18,20H2,1-3H3,(H,39,46)(H,40,47)(H,43,48)/t22?,25?,26?,28?,29-,30?,31-/m0/s1
    • InChI Key： HKYACNDBJBTRBK-DPOUEUDWSA-N
    • SMILES： S1CC2C(NC(CC3C=CC=CC=3)C3=NC(=CS3)C(NC(CC3C=CC=CC=3)C(N3CCC[C@H]3C3=N[C@H](C(NC(C1=N2)C(C)C)=O)C(C)O3)=O)=O)=O

Computed Properties

  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 52
  • Rotatable Bond Count: 5
  • Complexity: 1400
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 7
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 8
  • XLogP3: 4.8
  • Topological Polar Surface Area: 208

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