ZLV

(3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one

Created: 2021-05-05
Last modified:  2021-07-14

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count2
Bond Count78
Aromatic Bond Count11
2D diagram of ZLV
Toggle HydrogenToggle Labels

Chemical Component Summary

Name(3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one
Systematic Name (OpenEye OEToolkits)n/a
FormulaC27 H40 N4 O4
Molecular Weight484.631
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01CCC(O)(O)CCCCCC1NC(=O)C2CCN2CCCCCOc2ccccc2c2cnc1[NH]2
SMILESCACTVS3.385CCC(O)(O)CCCCC[CH]1NC(=O)[CH]2CCN2CCCCCOc3ccccc3c4[nH]c1nc4
SMILESOpenEye OEToolkits2.0.7CCC(CCCCCC1c2[nH]c(cn2)-c3ccccc3OCCCCCN4CCC4C(=O)N1)(O)O
Canonical SMILESCACTVS3.385 CCC(O)(O)CCCCC[C@@H]1NC(=O)[C@H]2CCN2CCCCCOc3ccccc3c4[nH]c1nc4
Canonical SMILESOpenEye OEToolkits2.0.7 CCC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccccc3OCCCCCN4CC[C@@H]4C(=O)N1)(O)O
InChIInChI1.03 InChI=1S/C27H40N4O4/c1-2-27(33,34)15-8-3-5-12-21-25-28-19-22(29-25)20-11-6-7-13-24(20)35-18-10-4-9-16-31-17-14-23(31)26(32)30-21/h6-7,11,13,19,21,23,33-34H,2-5,8-10,12,14-18H2,1H3,(H,28,29)(H,30,32)/t21-,23+/m0/s1
InChIKeyInChI1.03 UDDWOBRBECZUIE-JTHBVZDNSA-N

Related Resource References

Resource NameReference
PubChem 155937504