Basic information
- Standard SMILES
CC(C)(C)OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](CCCCN(Cc1nccn1CC(=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)Cc1nccn1CC(=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C- InChIKey
DFVPWGANVJHKDC-RATTXREYSA-N- Molecular formula
- C81H121N11O20
- Average molar mass
- 1,568.9 g/mol
Names & identifiers
- Preferred name
- (5S,12S,16S)-tri-tert-butyl 5-(4-(bis((1-(2-(bis(2-tert-butoxy-2-oxo ethyl)amino)-2-oxo ethyl)-1H-imidazol-2-yl)methyl)amino)butyl)-1-(9H-fluoren-9-yl)-3,6,14-trioxo-2-oxa-4,7,13,15-tetraazaoctadecane-12,16,18-tricarboxylate
- IUPAC
- ditert-butyl (2S)-2-[[(2S)-6-[[(2S)-6-[bis[[1-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]methyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate
Names & synonyms
SCHEMBL2839245DFVPWGANVJHKDC-RATTXREYSA-N(5S,12S,16S)-tri-tert-butyl 5-(4-(bis((1-(2-(bis(2-tert-butoxy-2-oxo ethyl)amino)-2-oxo ethyl)-1H-imidazol-2-yl)methyl)amino)butyl)-1-(9H-fluoren-9-yl)-3,6,14-trioxo-2-oxa-4,7,13,15-tetraazaoctadecane-12,16,18-tricarboxylate(5s,12s,16s)-tri-tert-butyl 5-(4-(bis((1-(2-(bis(2-tert-butoxy-2-oxoethyl)amino)-2-oxo ethyl)-1h-imidazol-2-yl)methyl)amino)butyl)-1-(9h-fluoren-9-yl)-3,6,14-trioxo-2-oxa-4,7,13,15-tetraazaoctadecane-12,16,18-tricarboxylate(5S,12S,16S)-tri-tert-butyl 5-(4-(bis((1-(2-(bis(2-tert-butoxy-2-oxoethyl)amino)-2-oxoethyl)-1H-imidazol-2-yl)methyl)amino)butyl)-1-(9H-fluoren-9-yl)-3,6,14-trioxo-2-oxa-4,7,13,15-tetraazaoctadecane-12,16,18-tricarboxylate
Database identifiers
- PubChem CID
- 86643307
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 372 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 52
- Heavy atoms
- 112
- Formal charge
- 0
- Complexity
- 2,960
Related reactions
9 records
Compound notes
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