N~5~-(Diaminomethylidene)-L-ornithylglycylglycylglycylglycylglycyl-L-tryptophylglycylglycyl-N~5~-(diaminomethylidene)-L-ornithine
Basic information
- CAS
832697-16-2- Standard SMILES
NC(N)=NCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O- InChIKey
NHDVTDQBWXOFMN-HVCNVCAESA-N- Molecular formula
- C37H57N17O11
- Average molar mass
- 916 g/mol
- Monoisotopic mass
- 915.4423457
Names & identifiers
- Preferred name
- N~5~-(Diaminomethylidene)-L-ornithylglycylglycylglycylglycylglycyl-L-tryptophylglycylglycyl-N~5~-(diaminomethylidene)-L-ornithine
- IUPAC
- (2S)-2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Names & synonyms
832697-16-2DTXSID70835321N~5~-(Diaminomethylidene)-L-ornithylglycylglycylglycylglycylglycyl-L-tryptophylglycylglycyl-N~5~-(diaminomethylidene)-L-ornithine
Database identifiers
- CAS
832697-16-2- PubChem CID
- 71415917
- DTXSID
DTXSID70835321- Nikkaji
- J2.120.332G
Properties
Computed structural properties
- XLogP
- -8.9
- Topological polar surface area
- 470 Ų
- Hydrogen bond donors
- 16
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 29
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 1,740
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Compound notes
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