Basic information
- CAS
55749-98-9- Standard SMILES
CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O- InChIKey
FDJOMAIZVIIHGU-UHFFFAOYSA-N- Molecular formula
- C38H57N11O7S
- Average molar mass
- 812 g/mol
- Monoisotopic mass
- 811.41631437
Names & identifiers
- Preferred name
- 2-[[2-[[2-[[2-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)-4-methylpentanamide
- IUPAC
- 2-[[2-[[2-[[2-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)-4-methylpentanamide
- English name
- Bombesin (8-14)
- Molecular formula
- C38H57N11O7S
- Molecular weight
- 812
Names & synonyms
2-[[2-[[2-[[2-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)-4-methylpentanamideBOMBESIN(8-14)SCHEMBL31738157DTXSID8097112320-Amino-4,7,10,13,16,19-hexahydroxy-8-[(1H-imidazol-5-yl)methyl]-21-(1H-indol-3-yl)-17-methyl-5-(2-methylpropyl)-2-[2-(methylsulfanyl)ethyl]-14-(propan-2-yl)-3,6,9,12,15,18-hexaazahenicosa-3,6,9,12,15,18-hexaen-1-imidic acidBombesin 7WAVGHLM-NH2Bombesin (8-14)bombesin fragment 8-14TRP-ALA-VAL-GLY-HIS-LEU-MET-NH2gastrin releasing peptide (21-27)H-TRP-ALA-VAL-GLY-HIS-LEU-MET-NH2
Show more names
L-Trp-L-Ala-L-Val-Gly-L-His-L-Leu-L-Met-NH2TRP-ALA-VAL-GLY-HIS-LEU-MET-NH2: WAVGHLM-NH2L-Methioninamide, L-tryptophyl-L-alanyl-L-valylglycyl-L-histidyl-L-leucyl-
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 313 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 23
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,390
Physicochemical properties
- Boiling point
- 1311.764 · 1311.764±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.275 · 1.275±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 13.126 · 13.126±0.46(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
Upstream & downstream products
Upstream raw materials
Suppliers40 total
青岛白鲸进出口贸易有限公司+86-13854236000; +85295407470 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]
南京昱盛康生物科技有限公司13327808530 · [email protected]
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]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [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]
Chengdu Youngshe Chemical Co., Ltd.+86-18108235634 · [email protected]
太原百利恒康生物技术有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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