(1R,4S,5R,7S,8S,12R,15S,16R,18S,19S)-19-(butanoyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl butanoate
AlkaPlorer ID: AK263451
Synonym: None
IUPAC Name: [(1R,4S,5R,7S,8S,12R,15S,16R,18S,19S)-19-butanoyloxy-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.01,14.03,12.04,10.05,7.015,21.016,18]tetracosa-9,20-dien-8-yl] butanoate
Structure
SMILES: CCCC(=O)O[C@H]1C=C2C[C@@]34SS[C@]5(CC6=C[C@H](OC(=O)CCC)[C@@H]7O[C@@H]7[C@H]6N5C3=O)C(=O)N4[C@@H]2[C@H]2O[C@H]21
InChI: InChI=1S/C26H28N2O8S2/c1-3-5-15(29)33-13-7-11-9-25-23(31)28-18-12(8-14(20-22(18)36-20)34-16(30)6-4-2)10-26(28,38-37-25)24(32)27(25)17(11)21-19(13)35-21/h7-8,13-14,17-22H,3-6,9-10H2,1-2H3/t13-,14-,17-,18-,19-,20-,21+,22+,25+,26+/m0/s1
InChIKey: VGXSFXYHPSOFJY-LEMMCHRQSA-N
Source
Properties Information
Molecule Weight: 560.6500000000003
TPSA？: 118.28
MolLogP？: 1.828
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|