RETASPIMYCIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: BZF2ZM0I5Z

Structure
InChI Key OAKGNIRUXAZDQF-TXHRRWQRSA-N
Smile C=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)N2
InChI
InChI=1S/C31H45N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H45N3O8
Molecular Weight 587.71
AlogP 4.16
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 6.0
Polar Surface Area 172.6
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 42.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 71975
ChEMBL CHEMBL1184904
DrugBank DB05626
FDA SRS BZF2ZM0I5Z
PubChem 11534420
SureChEMBL SCHEMBL12251507
ZINC ZINC000043128334
CONTENTS