Basic information
- CAS
834902-54-4- Standard SMILES
CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)O- InChIKey
ZLSLMXPQEKFIEC-HUVRVWIJSA-N- Molecular formula
- C35H60N12O12
- Average molar mass
- 840.9 g/mol
- Monoisotopic mass
- 840.4453654
Names & identifiers
- Preferred name
- L-Alanyl-L-leucylglycyl-L-seryl-N~5~-(diaminomethylidene)-L-ornithyl-L-seryl-L-prolyl-L-prolylglycine
- IUPAC
- 2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetic acid
Names & synonyms
834902-54-4DTXSID70834632L-Alanyl-L-leucylglycyl-L-seryl-N~5~-(diaminomethylidene)-L-ornithyl-L-seryl-L-prolyl-L-prolylglycine
Database identifiers
- CAS
834902-54-4- PubChem CID
- 71415212
- DTXSID
DTXSID70834632
Properties
Computed structural properties
- XLogP
- -7.2
- Topological polar surface area
- 383 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 23
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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