Compound Summary
Compound Information
MDL 28170
Compound Name: | MDL 28170 |
Compound CID: | 72430 |
Synonyms: | MDL 28170 Cbz-val-phe-H N-Cbz-val-phe-al Calpain Inhibitor III MDL-28170 More... |
Iupac Name: | benzyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]carbamate |
InChI: | InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1 |
InChIKey: | NGBKFLTYGSREKK-PMACEKPBSA-N |
Canonical Smiles: | CC(C)C(C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)OCC2=CC=CC=C2 |
Isomeric Smiles: | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C=O)NC(=O)OCC2=CC=CC=C2 |
Molecular Weight: | 382.5 |
Molecular Formula: | C22H26N2O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
MDL 28170
Molecular Weight: | 382.5 |
Molecular Formula: | C22H26N2O4 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 10 |
Heavy Atom Count: | 28 |
Complexity: | 497 |
Synonyms
MDL 28170
| MDL 28170 | MDL 28170 |
|---|---|
MDL 28170 |
Cbz-val-phe-H |
N-Cbz-val-phe-al |
Calpain Inhibitor III |
MDL-28170 |
Z-Val-Phe-H |
N-Benzyloxycarbonylvalylphenylalaninal |
Carbobenzoxyvalylphenylalanine aldehyde |
88191-84-8 |
UNII-WCJ9LQ197S |
N-Benzyloxycarbonylvalylphenylalanine aldehyde |
WCJ9LQ197S |
CHEMBL286722 |
CHEBI:82818 |
Cbz-valpheh |
MDL28170 |
Z-Val-Phe-CHO |
Z-VF-aldehyde |
Cbz-Val-Phe-CHO |
Z-Val-Phe-al |
Z-Val-Phe-aldehyde |
CBz(L)-Val-Phe-H |
Lopac-M-6690 |
Phenylmethyl ((1S)-1-((((1S)-1-formyl-2-phenylethyl)amino)carbonyl)-2-methylpropyl)carbamate |
Lopac0_000730 |
BSPBio_001557 |
KBioGR_000277 |
KBioSS_000277 |
SCHEMBL5133312 |
BCBcMAP01_000248 |
GTPL10745 |
KBio2_000277 |
KBio2_002845 |
KBio2_005413 |
KBio3_000553 |
KBio3_000554 |
1-(1-Formyl-2-phenyl-ethylcarbamoyl)-2-methyl-propyl-carbamic acid benzyl ester |
Bio2_000277 |
Bio2_000757 |
DTXSID801007990 |
HMS1361N19 |
HMS1791N19 |
HMS1989N19 |
HMS3262A22 |
HMS3402N19 |
MDL-2170 |
ZINC1996112 |
MDL-28170; Z-Val-Phe-CHO |
Tox21_500730 |
BDBM50014577 |
CCG-204815 |
LP00730 |
MDL 28,170 |
SDCCGSBI-0050708.P003 |
IDI1_034027 |
NCGC00015696-01 |
NCGC00094076-01 |
NCGC00094076-02 |
NCGC00094076-03 |
NCGC00094076-04 |
NCGC00094076-05 |
NCGC00094076-06 |
NCGC00261415-01 |
benzyl N-(2S)-3-methyl-1-oxo-1-(2S)-1-oxo-3-phenylpropan-2-ylaminobutan-2-ylcarbamate |
Carbamic acid, ((1S)-1-((((1S)-1-formyl-2-phenylethyl)amino)carbonyl)-2-methylpropyl)-, phenyl ester |
Carbamic acid, (1-(((1-formyl-2-phenylethyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (S-(R*,R*))- |
n-benzyloxycarbonyl-l-valyl-l-phenylalaninal |
EU-0100730 |
L-benzyloxycarbonyl-L-valyl-L-phenylalaninal |
M 6690 |
SR-01000076004 |
SR-01000076004-1 |
BRD-K43245338-001-02-4 |
Q27156387 |
N-N-(Phenylmethoxy)carbonyl-L-valyl-L-phenylalanine, aldehyde deriv. |
(S)-1-((S)-1-Benzyl-2-oxo-ethylcarbamoyl)-2-methyl-propyl-carbamic acid benzyl ester |
benzyl (S)-3-methyl-1-oxo-1-((S)-1-oxo-3-phenylpropan-2-ylamino)butan-2-ylcarbamate |
2-{(Benzyloxy)(hydroxy)methylideneamino}-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)butanimidic acid |
756485-04-8 |
benzyl (2S)-3-methyl-1-oxo-1-{(2S)-1-oxo-3-phenylpropan-2-ylamino}butan-2-ylcarbamate |
Experimental Data
MDL 28170
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 0 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
MDL 28170
Statistics Data
MDL 28170
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0 | 1 | 1 |
Statistics Data Visualization
MDL 28170
