Basic information
- CAS
4754-02-3- Standard SMILES
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O- InChIKey
QHONSXVTXMBDTM-JRCROSFVSA-N- Molecular formula
- C44H65N13O7
- Average molar mass
- 888.1 g/mol
- Monoisotopic mass
- 887.51299146
Names & identifiers
- Preferred name
- L-Phenylalanyl-N~5~-(diaminomethylidene)-L-ornithyl-L-tryptophylglycyl-L-lysyl-L-prolyl-L-valinamide
- IUPAC
- (2S)-1-[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
Names & synonyms
DTXSID807865124754-02-3L-Phenylalanyl-N~5~-(diaminomethylidene)-L-ornithyl-L-tryptophylglycyl-L-lysyl-L-prolyl-L-valinamide
Database identifiers
- CAS
4754-02-3- PubChem CID
- 71362913
- DTXSID
DTXSID80786512
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 341 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 25
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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