Chemical Components in the PDB

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ZLV : Summary

Code

ZLV

One-letter code

X

Molecule 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 names

ProgramVersionName
ACDLabs 12.01 (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

Formula

C27 H40 N4 O4

Formal charge

0

Molecular weight

484.631 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CCC(O)(O)CCCCCC1NC(=O)C2CCN2CCCCCOc2ccccc2c2cnc1[NH]2
SMILES CACTVS 3.385 CCC(O)(O)CCCCC[CH]1NC(=O)[CH]2CCN2CCCCCOc3ccccc3c4[nH]c1nc4
SMILES OpenEye OEToolkits 2.0.7 CCC(CCCCCC1c2[nH]c(cn2)-c3ccccc3OCCCCCN4CCC4C(=O)N1)(O)O
Canonical SMILES CACTVS 3.385 CCC(O)(O)CCCCC[C@@H]1NC(=O)[C@H]2CCN2CCCCCOc3ccccc3c4[nH]c1nc4
Canonical SMILES OpenEye OEToolkits 2.0.7 CCC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccccc3OCCCCCN4CC[C@@H]4C(=O)N1)(O)O

IUPAC InChI

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

IUPAC InChI key

UDDWOBRBECZUIE-JTHBVZDNSA-N
ZLV

wwPDB Information

Atom count

75 (35 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-05-05

Last modified at

2021-07-09

Status

Released

Obsoleted

Not Assigned