Basic information
- CAS
63244-88-2- Standard SMILES
COc1cc(NC(=O)[C@H](CCCCN)NC(=O)C(C)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)cc2ccccc12- InChIKey
UQMLGUGORCPCIU-ZVTMKPAUSA-N- Molecular formula
- C31H39N5O6
- Average molar mass
- 577.7 g/mol
- Monoisotopic mass
- 577.29003398
Overview
substrate for tryptase-like activity
Names & identifiers
- Preferred name
- Benzyloxycarbonyl-alanyl-alanyl-lysyl-4-methoxy-2-naphthylamide
- IUPAC
- benzyl N-[(2S)-1-[[1-[[(2S)-6-amino-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
- English name
- benzyloxycarbonyl-alanyl-alanyl-lysyl-4-methoxy-2-naphthylamide
- Molecular formula
- C31H39N5O6
- Molecular weight
- 577.67
Names & synonyms
Z-Ala-ala-lys-mnaBenzyloxycarbonyl-alanyl-alanyl-lysyl-4-methoxy-2-naphthylamide63244-88-2RefChem:118959benzyl N-[(2S)-1-[[1-[[(2S)-6-amino-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamateZ-Ala-Ala-Lys-4MbetaNA formiate saltDTXSID60979283FA110620L-Lysinamide, N-((phenylmethoxy)carbonyl)-L-alanyl-L-alanyl-N-(4-methoxy-2-naphthalenyl)-(5S,11S)-11-(4-Aminobutyl)-3,6,9-trihydroxy-N-(4-methoxynaphthalen-2-yl)-5,8-dimethyl-1-phenyl-2-oxa-4,7,10-triazadodeca-3,6,9-trien-12-imidic acid11-(4-Aminobutyl)-3,6,9-trihydroxy-N-(4-methoxynaphthalen-2-yl)-5,8-dimethyl-1-phenyl-2-oxa-4,7,10-triazadodeca-3,6,9-trien-12-imidic acidZ-Ala-Ala-Lys-4MbNA
Show more names
Z-Ala-Ala-Lys-4MβNAZ-Ala-Ala-Lys-4MβNAZ-Ala-Ala-Lys-4MβNA formiate saltN-[(Benzyloxy)carbonyl]-L-alanylalanyl-N-(4-methoxy-2-naphthyl)-L -lysinamideL-Lysinamide, N-[(phenylmethoxy)carbonyl]-L-alanyl-L-alanyl-N-(4-methoxy-2-naphthalenyl)- (9CI)
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 882
Physicochemical properties
- Boiling point
- 906.9 · 906.9±65.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- pka
- 11.14 · 11.14±0.46(Predicted)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 350 · H350
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H350 (100%): May cause cancer [Danger Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesCarc. 1A (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H350
Chemistry & industry
Suppliers17 total
上海鸿肽生物科技有限公司15318089928 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
太原百利恒康生物技术有限公司19135651983 · [email protected]
南京肽谷生物科技有限公司18115476705 · [email protected]
成都云希化工有限公司+86-17380623303 · [email protected]
深圳市金赛途生物科技有限公司0755-23251735 13302967066 · [email protected]
浙江杰坤生物科技有限公司15397062932 · [email protected]
南京源肽生物科技有限公司13357818155 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
ANHUI BYERSEN BIOTECH CO. LTD+8617355064950 · [email protected]
上海楷森生物科技有限公司17558870519 · [email protected]
南京肽研生物科技有限公司19961912513 19941518170 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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