2'-amino-20-(hydroxymethyl)-18-(3-hydroxypropyl)-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: AK160192
Synonym: None
IUPAC Name: (2'S,3'S,6S,15'S,18'R,19'R,20'S,22'R)-2-amino-20'-(hydroxymethyl)-18'-(3-hydroxypropyl)-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]1[C@H](CCCO)C=C[C@H](C4=O)[C@@]512)CCNC(N)=N3
InChI: InChI=1S/C29H43N3O3S2/c1-27-10-13-36-37-17-28(9-11-31-26(30)32-28)8-2-5-21-23-15-20(27)14-19(16-34)24-18(4-3-12-33)6-7-22(25(21)35)29(23,24)27/h6-7,18-20,22,24,33-34H,2-5,8-17H2,1H3,(H3,30,31,32)/t18-,19-,20-,22-,24-,27+,28+,29-/m1/s1
InChIKey: ZYDIBBSDZCREQW-CXEZADKESA-N
Source
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Properties Information
Molecule Weight: 545.8150000000002
TPSA？: 107.94
MolLogP？: 4.083600000000002
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 6
Activities Information
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