Basic information
- CAS
87367-30-4- Standard SMILES
CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C1C=CCN1C(=O)C(CCCCN)NC(=O)C1C=CCN1C(=O)C(N)CCCN=C(N)N)C(N)=O- InChIKey
IZMAQANHSVBAOA-UHFFFAOYSA-N- Molecular formula
- C63H94N18O13S
- Average molar mass
- 1,343.6 g/mol
- Monoisotopic mass
- 1,342.69684607
Names & identifiers
- Preferred name
- (3,4-Dehydro-Pro2,4)-Substance P
- IUPAC
- 2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]-2,5-dihydropyrrole-2-carbonyl]amino]hexanoyl]-2,5-dihydropyrrole-2-carbonyl]amino]-N-[5-amino-1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
- English name
- (3,4-DEHYDRO-PRO2,4)-SUBSTANCE P
- Molecular formula
- C63H94N18O13S
- Molecular weight
- 1343.6
Names & synonyms
87367-30-4(3,4-Dehydro-Pro2,4)-Substance PAC1N2R9VDTXSID50399315(3,4-Dehydro-Pro2.4)-Substance PFD108788H-Arg-3,4-dehydro-Pro-Lys-3,4-dehydro-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2N~2~-[1-(N~2~-{1-[N~5~-(Diaminomethylidene)ornithyl]-2,5-dihydro-1H-pyrrole-2-carbonyl}lysyl)-2,5-dihydro-1H-pyrrole-2-carbonyl]glutaminylglutaminylphenylalanylphenylalanylglycylleucylmethioninamide(3,4-Dehydro-Pro2(DEHYDO-PRO2,4)-SUBSTANCE P[DEHYDRO-PRO2,4]-SUBSTANCE PSubstance P, [dehydro-Pro2,4]
Show more names
ARG-DELTA-PRO-LYS-DELTA-PRO-GLN-GLN-PHE-PHE-GLY-LEU-MET-NH2ARG-3,4-DEHYDRO-PRO-LYS-3,4-DEHYDRO-PRO-GLN-GLN-PHE-PHE-GLY-LEU-MET-NH2Substance P,2-(3,4-didehydro-L-proline)-4-(3,4-didehydro-L-proline)- (9CI)(3,4-Dehydro-Pro2·4)-Substance P H-Arg-3,4-dehydro-Pro-Lys-3,4-dehydro-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 544 Ų
- Hydrogen bond donors
- 15
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 42
- Heavy atoms
- 95
- Formal charge
- 0
- Complexity
- 2,720
Physicochemical properties
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 12.96 · 12.96±0.20(Predicted)
- 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
- wgk
- 3
Chemistry & industry
Suppliers8 total
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]
杭州专肽生物技术有限公司17342063383 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
杭州肽佳生物科技有限公司0571-87213919 15967184799 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
吉尔生化(上海)有限公司21-61263452 13641803416 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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