L-Histidyl-N~5~-(diaminomethylidene)-L-ornithyl-L-tyrosyl-L-valyl-L-phenylalanine
Basic information
- CAS
824952-01-4- Standard SMILES
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O- InChIKey
MGICIOTYSRCNEY-ZIUUJSQJSA-N- Molecular formula
- C35H48N10O7
- Average molar mass
- 720.8 g/mol
- Monoisotopic mass
- 720.37074391
Names & identifiers
- Preferred name
- L-Histidyl-N~5~-(diaminomethylidene)-L-ornithyl-L-tyrosyl-L-valyl-L-phenylalanine
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid
Names & synonyms
824952-01-4DTXSID90837685L-Histidyl-N~5~-(diaminomethylidene)-L-ornithyl-L-tyrosyl-L-valyl-L-phenylalanine
Database identifiers
- CAS
824952-01-4- PubChem CID
- 71418367
- DTXSID
DTXSID90837685
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 293 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 20
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,200
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Compound notes
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