2'-amino-20-(hydroxymethyl)-3-methyl-5',6'-dihydro-1'H-6,7-dithiaspiro[pentacyclo[11.10.0.0²,¹?.0²,¹?.0³,²²]tricosane-9,4'-pyrimidine]-1(13),16-dien-14-one
AlkaPlorer ID: AK139174
Synonym: None
IUPAC Name: (2'S,3'S,6S,15'S,19'R,20'S,22'R)-2-amino-20'-(hydroxymethyl)-3'-methylspiro[4,5-dihydro-1H-pyrimidine-6,9'-6,7-dithiapentacyclo[11.10.0.02,15.02,19.03,22]tricosa-1(13),16-diene]-14'-one
Structure
SMILES: C[C@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H]1CC=C[C@H](C4=O)[C@@]512)CCNC(N)=N3
InChI: InChI=1S/C26H37N3O2S2/c1-24-9-11-32-33-15-25(8-10-28-23(27)29-25)7-3-4-18-21-13-17(24)12-16(14-30)19-5-2-6-20(22(18)31)26(19,21)24/h2,6,16-17,19-20,30H,3-5,7-15H2,1H3,(H3,27,28,29)/t16-,17-,19-,20-,24+,25+,26-/m1/s1
InChIKey: ZDHOLSMBJYCLCM-ZKABVCCKSA-N
Source
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Properties Information
Molecule Weight: 487.7350000000002
TPSA？: 87.71
MolLogP？: 4.085000000000002
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 6
Activities Information
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