VIPIVOTIDE TETRAXETAN

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Synonyms
Status
Molecule Category Free-form
UNII 4YM1W0EGQ5

Structure

InChI Key JBHPLHATEXGMQR-LFWIOBPJSA-N
Smiles O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(=O)O)C(=O)O
InChI
InChI=1S/C49H71N9O16/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61/h1-2,5-6,10-11,25,32,35,37-39H,3-4,7-9,12-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74)/t32-,35-,37-,38-,39-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C49H71N9O16
Molecular Weight 1042.15

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MH clan Metallo protease M28 family Metallo protease M28B subfamily
- 10.9 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 10.9 - - -

Cross References

Resources Reference
CAS NUMBER 1702967-37-0
ChEMBL CHEMBL4594280
FDA SRS 4YM1W0EGQ5
SureChEMBL SCHEMBL20180896
CONTENTS