Basic information
- CAS
37691-11-5- Standard SMILES
CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)NC(C=O)CCCN=C(N)N- InChIKey
SDNYTAYICBFYFH-UHFFFAOYSA-N- Molecular formula
- C27H44N10O6
- Average molar mass
- 604.7 g/mol
- Monoisotopic mass
- 604.34452916
Overview
Antipain (dihydrochloride) is a dipeptide.
Names & identifiers
- Preferred name
- Antipain (dihydrochloride)
- IUPAC
- 2-[[5-(diaminomethylideneamino)-1-[[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
- English name
- Antipain hydrochloride dihydrate
- Molecular formula
- C27H44N10O6
- Molecular weight
- 604.7
Names & synonyms
Antipain (dihydrochloride)C27H44N10O6Antipain (Synthetic)[(S)-1-Carboxy-2-phenyl-ethyl]-carbamoyl-Arg-Val-Arg-aldehydeorb1707653SCHEMBL14038024IAP-3996-PICHEBI:181808HMS3369O02AKOS040741151NCGC00390338-012-[[5-(diaminomethylideneamino)-1-[[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
Show more names
Aids006469Aids-006469PHE-ARG-VAL-ARG-CHOANTIPAIN ~10000 U/MGPhe-co-Arg-Val-L-Arg-hAntipain research gradeAntipain hydrochloride dihydrateANTIPAIN HYDROCHLORIDE DIHYDRATE USP/EP/BP4-((aminoiminomethyl)amino)-1-formylbutyl)-Nα-[Nα-[[(1-Carboxy-2-phenylethyl)amino]carbonyl]-L-arginyl]-N-(1-formyl-4-guanidinobutyl)-L-valinamide
T142952-[[1-[[1-[(1-formyl-4-guanidino-butyl)carbamoyl]-2-methyl-propyl]carbamoyl]-4-guanidino-butyl]carbamoylamino]-3-phenyl-propanoic acid
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 283 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 19
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 975
Physicochemical properties
- Density
- 1.38 · 1.38
- storage temp.
- 20 °C · −20°C
- pka
- 3.84 · 3.84±0.10(Predicted)
- Specific Activity
- 50000 U/mg · >50000U/mg
- BRN
- 6837629 · 6837629
- InChIKey
- SDNYTAYICBFYFH-KTYMLHDXSA-N
- SMILES
- [H]C(=O)C(CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)C
- FDA UNII
- 47 V479BE6L · 47V479BE6L
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 1-10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- YV9350700
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesAntipain is a reversible inhibitor of Ser and Cys proteases.
General DescriptionChemical structure: peptide
Suppliers36 total
北京华美互利生物化工010-56205725 · [email protected]
上海鸿肽生物科技有限公司15318089928 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [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]
VDM Biochemicals0330-2528181 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Creative Peptides[email protected]
太原百利恒康生物技术有限公司19135651983 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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