Primary record
SCHEMBL17109827
- CAS
- 1810009-29-0
- PubChem CID
- 118391888
- SMILES
- CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=S)NC1=CC=C(C=C1)N=C=S)O)O)O)O
- Molecular Formula
- C42H68N10O11S2
- Molecular Weight
- 953.199
- Exact Mass
- 952.451
- InChI
- InChI=1S/C42H68N10O11S2/c1-33(53)49(60)28-10-2-6-24-43-36(54)18-21-39(57)50(61)29-11-3-7-25-44-37(55)19-22-40(58)51(62)30-12-4-8-26-45-38(56)20-23-41(59)52(63)31-13-5-9-27-46-42(65)48-35-16-14-34(15-17-35)47-32-64/h14-17,60-63H,2-13,18-31H2,1H3,(H,43,54)(H,44,55)(H,45,56)(H2,46,48,65)
- InChIKey
- FIFURKNZUYXGMR-UHFFFAOYSA-N
- LogP
- 3.9688
- TPSA
- 285.88
Names and synonyms
- SCHEMBL17109827
- EX-A12113
- 1810009-29-0
- N1-(8,19-Dihydroxy-1-((4-isothiocyanatophenyl)amino)-9,12,20,23-tetraoxo-1-thioxo-2,8,13,19,24-pentaazanonacosan-29-yl)-N1-hydroxy-N4-(5-(N-hydroxyacetamido)pentyl)succinamide
- N1-[5-(Acetylhydroxyamino)pentyl]-N26,5,16-trihydroxy-N26-[5-[[[(4-isothiocyanatophenyl)amino]thioxomethyl]amino]pentyl]-4,12,15,23-tetraoxo-5,11,16,22-tetraazahexacosanediamide