Basic information
- CAS
246871-46-5- Standard SMILES
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2[nH]ccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)[C@@H](N)CCCN=C(N)N)C(C)(C)C)C(=O)O- InChIKey
WFYNAMVGNXEGGS-MEKBUFPSSA-N- Molecular formula
- C39H63N11O7
- Average molar mass
- 798 g/mol
- Monoisotopic mass
- 797.49119339
Names & identifiers
- Preferred name
- Ahr48A4R32
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-5-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-4-yl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoic acid
Names & synonyms
NT77LAHR48A4R32NT-77LNT77NT-77L-Arginyl-D-ornithyl-L-prolyl-3-(1H-indol-4-yl)-L-alanyl-3-methyl-L-valyl-L-leucineL-Leucine, L-arginyl-D-ornithyl-L-prolyl-3-(1H-indol-4-yl)-L-alanyl-3-methyl-L-valyl-246871-46-5
Database identifiers
- CAS
246871-46-5- PubChem CID
- 9853866
- UNII
- AHR48A4R32
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 306 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 22
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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