PDB CCD ID: | E09 |
Number of entries in BioLiP: | 8 |
Chemical formula: | C15 H18 N2 O4 |
InChI: | InChI=1S/C15H18N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h7,18-19H,2-6,8H2,1H3 |
InChIKey: | JCCDRCRHGKFTQS-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 10.04 | O=C2c1n(c(c(c1C(=O)C(=C2)N3CC3)CO)CCCO)C | OpenEye OEToolkits 1.5.0 | Cn1c(c(c2c1C(=O)C=C(C2=O)N3CC3)CO)CCCO | CACTVS 3.341 | Cn1c(CCCO)c(CO)c2C(=O)C(=CC(=O)c12)N3CC3 |
|
Name: | 3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-2-[1H-INDOLE-4,7-DIONE]-PROPANOL |
DrugBank: | DB02395 |
ZINC: | ZINC000005783546 |