Basic information
- Standard SMILES
CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C- InChIKey
JSQIKKVBLLHQSQ-AWJAZODESA-N- Molecular formula
- C43H65N13O12
- Average molar mass
- 956.1 g/mol
- Monoisotopic mass
- 955.48756456
Names & identifiers
- Preferred name
- H-Asp-Arg-Val-Tyr-Val-His-Pro-Ala-OH
- IUPAC
- (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxyethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Names & synonyms
CHEMBL2391146SCHEMBL29350537JSQIKKVBLLHQSQ-AWJAZODESA-N
Database identifiers
- PubChem CID
- 15171724
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 409 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 26
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 1,810
Related reactions
4 records
Compound notes
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