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Basic information
- CAS
137593-44-3- Standard SMILES
CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CSCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(C)C- InChIKey
HUZMMLMUHRPCRT-QKDPGABGSA-N- Molecular formula
- C39H67N13O9S
- Average molar mass
- 894.1 g/mol
- Monoisotopic mass
- 893.49054194
Names & identifiers
- Preferred name
- Isoleucyl-histidyl-leucyl-valyl-prolyl-carboxyamidomethylcysteinyl-arginine
- IUPAC
- (2S)-2-[[(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(2-amino-2-oxoethyl)sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
- English name
- isoleucyl-histidyl-leucyl-valyl-prolyl-carboxyamidomethylcysteinyl-arginine
- Molecular formula
- C39H67N13O9S
- Molecular weight
- 894.1
Names & synonyms
Ihlvpcca137593-44-3Isoleucyl-histidyl-leucyl-valyl-prolyl-carboxyamidomethylcysteinyl-arginineIle-his-leu-val-pro-(cam)cys-argDTXSID50160244RefChem:149477DTXCID0082735(2S)-2-[[(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(2-amino-2-oxoethyl)sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acidL-Isoleucyl-L-histidyl-L-leucyl-L-valyl-L-prolyl-S-(2-amino-2-oxoethyl)-L-cysteinyl-N~5~-(diaminomethylidene)-L-ornithine
Database identifiers
- CAS
137593-44-3- PubChem CID
- 196891
- DTXSID
DTXSID50160244
Properties
Computed structural propertiesFilling in
- XLogP
- -2.8
- Topological polar surface area
- 391 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 27
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,580
Physicochemical properties
- Density
- 1.439 · 1.439±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.246 · 3.246±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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