Basic information
- CAS
90145-64-5- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)O- InChIKey
PZJOKAFPZVCZBJ-DJQQXEBLSA-N- Molecular formula
- C62H93N17O12
- Average molar mass
- 1,268.5 g/mol
- Monoisotopic mass
- 1,267.71896147
Overview
decapeptide analog of human renin substrate with statine replacing leucine; RN given refers to (S-R*,R*)-isomer
Names & identifiers
- Preferred name
- H 189
- IUPAC
- (2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(3S,4S)-3-hydroxy-4-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-6-methylheptanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid
- English name
- H 189
- Molecular formula
- C62H93N17O12
- Molecular weight
- 1268.50852
Names & synonyms
H 18990145-64-5H-189DTXSID40238047RefChem:144942DTXCID60160538H-Pro-His-Pro-Phe-His-Sta-Val-Ile-His-Lys-OHorb1985994AKOS040751990((3S,4S)-4-((S)-2-((S)-2-((S)-1-(L-prolyl-L-histidyl)pyrrolidine-2-carboxamido)-3-phenylpropanamido)-3-(1H-imidazol-4-yl)propanamido)-3-hydroxy-6-methylheptanoyl)-L-valyl-L-isoleucyl-L-histidyl-L-lysineT32037L-Lysine, N2-(N-(N-(N-(3-hydroxy-6-methyl-1-oxo-4-((N-(N-(1-(N-L-prolyl-L-histidyl)-L-prolyl)-L-phenylalanyl)-L-histidyl)amino)heptyl)-L-valyl)-L-isoleucyl)-L-histidyl)-, (S-(R*,R*))-
Show more names
L-Prolyl-L-histidyl-L-prolyl-L-phenylalanyl-N-[(4S,5S,9S,12S,15S,18S)-22-amino-12-[(2S)-butan-2-yl]-18-carboxy-5-hydroxy-15-[(1H-imidazol-5-yl)methyl]-2-methyl-7,10,13,16-tetraoxo-9-(propan-2-yl)-8,11,14,17-tetraazadocosan-4-yl]-L-histidinamide
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 435 Ų
- Hydrogen bond donors
- 15
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 37
- Heavy atoms
- 91
- Formal charge
- 0
- Complexity
- 2,400
Chemistry & industry
Applications
DescriptionH 189 is a decapeptide analog of human renin substrate with statine replacing leucine.
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
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Compound notes
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