(2S)-1-[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-benzyl-amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino
Basic information
- CAS
186380-62-1- Standard SMILES
NCCCCCCNCC(=O)N(CCCN=C(N)N)CC(=O)N(CCCN=C(N)N)CC(=O)N(CC(=O)N(CCCN=C(N)N)CC(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(N)=O)Cc1ccccc1- InChIKey
PHIRWRJXMDCHJF-GBYUNDSOSA-N- Molecular formula
- C58H107N25O9
- Average molar mass
- 1,298.6 g/mol
- Monoisotopic mass
- 1,297.86836009
Names & identifiers
- Preferred name
- (2S)-1-[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-benzyl-amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino
- IUPAC
- (2S)-1-[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-benzylamino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide
Names & synonyms
(2S)-1-[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-benzyl-amino]acetyl]-[3-(diaminomethylideneamino)propyl]aminoSCHEMBL15987250SCHEMBL29624051GLXC-07933(2S)-1-[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-(3-guanidinopropyl)amino]acetyl]-(3-guanidinopropyl)amino]acetyl]-benzyl-amino]acetyl]-(3-guanidinopropyl)amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carboxamideN-(6-Aminohexyl)glycyl-N-{3-[(diaminomethylidene)amino]propyl}glycyl-N-{3-[(diaminomethylidene)amino]propyl}glycyl-N-benzylglycyl-N-{3-[(diaminomethylidene)amino]propyl}glycyl-D-lysyl-D-lysyl-N~5~-(diaminomethylidene)-D-ornithyl-L-prolinamide
Database identifiers
- CAS
186380-62-1- PubChem CID
- 462369
- DTXSID
DTXSID70171892
Properties
Computed structural properties
- XLogP
- -7.1
- Topological polar surface area
- 580 Ų
- Hydrogen bond donors
- 16
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 49
- Heavy atoms
- 92
- Formal charge
- 0
- Complexity
- 2,380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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