Basic information
- CAS
103412-36-8- Standard SMILES
NC(N)=NCCC[C@@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O- InChIKey
ULGMPJSHNJQEJC-VDMFLOONSA-N- Molecular formula
- C56H83N19O13S2
- Average molar mass
- 1,294.5 g/mol
- Monoisotopic mass
- 1,293.58591613
Overview
bradykinin antagonist
Names & identifiers
- Preferred name
- HOE k86-4321
- IUPAC
- (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S,4R)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-thiophen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
- English name
- HOE k86-4321
- Molecular formula
- C56H83N19O13S2
- Molecular weight
- 1294.51
Names & synonyms
103412-36-8Ahtp-BKHoe k86-4321Hoe-k86-4321Arginyl-hydroxyprolyl-prolyl-glycyl-(2-thienyl)alanyl-seryl-phenylalanyl-2-(thienyl)alanyl-arginineArg-hyp-pro-gly-thi-ser-phe-thi-argBradykinin, arg-hyp(2)-(thi-ala)(5,8)-phe(7)-2-Hyp-5,8-(thi-ala)-7-phe-bradykininDTXSID80145822Bradykinin, hydroxyprolyl(2)-thienylalanyl(5,8)-phenylalanine(7)-RefChem:146632DTXCID0068313
Show more names
B 3816B4307, Hoe k86-4321, Ahtp-BK(D-Arg?,Hyp?,β-(2-thienyl)-Ala?·?,D-Phe?)-Bradykinin(D-Arg?,Hyp3,β-(2-thienyl)-Ala?·?,D-Phe?)-Bradykinin(D-Arg0,Hyp3,β-(2-thienyl)-Ala5?8,D-Phe7)-Bradykinin(D-Arg0,Hyp3,b-(2-thienyl)-Ala5·8,D-Phe7)-BradykininH-D-Arg-Arg-Pro-Hyp-Gly-b-(2-thienyl)-Ala-Ser-D-Phe-b-(2-thienyl)-Ala-Arg-OHL-Arginine, N2-[N-[N-[N-[N-[N-[1-[1-(N2-D-arginyl-L-arginyl)-trans-4-hydroxy-L-prolyl]-L-prolyl]glycyl]-3-(2-thienyl)-L-alanyl]-L-seryl]-D-phenylalanyl]-3-(2-thienyl)-L-alanyl]- (9CI)
Properties
Computed structural properties
- XLogP
- -6.5
- Topological polar surface area
- 598 Ų
- Hydrogen bond donors
- 17
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 36
- Heavy atoms
- 90
- Formal charge
- 0
- Complexity
- 2,540
Chemistry & industry
Applications
DescriptionHOE-K86-4321 is a Bradykinin antagonist.
Suppliers21 total
成都超九八生物科技有限公司13348960310 13348960310 · [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]
凯试(上海)科技有限公司021-50135380 · [email protected]
Chengdu Youngshe Chemical Co., Ltd.+86-18108235634 · [email protected]
Creative Peptides[email protected]
太原百利恒康生物技术有限公司19135651983 · [email protected]
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
南京肽谷生物科技有限公司18115476705 · [email protected]
南京莱昂生物科技有限公司025-84523390 -127; 17705183659 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
南京美韬医药科技有限公司
Related reactions
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Compound notes
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