Fcryp-2
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Basic information
- CAS
113731-92-3- Standard SMILES
Cc1c(C(=O)O)n(CC(=O)O)c2cc3c(cc12)OCCN1CCN(c2cc4c(c(C)c(C(=O)O)n4CC(=O)O)c4ccccc24)CCN(CCO3)c2cc(F)ccc2OCCOc2ccc(F)cc21- InChIKey
GHKUZABKBSWOMX-UHFFFAOYSA-N- Molecular formula
- C50H47F2N5O12
- Average molar mass
- 947.9 g/mol
- Monoisotopic mass
- 947.31892828
Overview
structure given in first source
Names & identifiers
- Preferred name
- Fcryp-2
- IUPAC
- 36-[2-carboxy-3-(carboxymethyl)-1-methylbenzo[e]indol-5-yl]-25-(carboxymethyl)-4,15-difluoro-27-methyl-8,11,21,31-tetraoxa-1,18,25,36-tetrazahexacyclo[16.15.5.02,7.012,17.022,30.024,28]octatriaconta-2(7),3,5,12(17),13,15,22(30),23,26,28-decaene-26-carboxylic acid
- English name
- FCryp-2
- Molecular formula
- C50H47F2N5O12
- Molecular weight
- 947.93
Names & synonyms
Fcryp-2113731-92-3RefChem:1400492,3-9,8-Bis(1-fluoro-3,4-benzo)-14,15-(1-carboxymethyl-2-carboxy-3-methyl-5,6-indolo)-21-(1-carboxymethyl-2-carboxy-3-methyl-8-benz(e)indolyl)-4,7,13,16-tetraoxa-1,10,21-triazabicyclo(8.8.5)-tricosane13,25-(Ethaniminoethano)-13H,18H,25H-dibenzo[8,9:14,15][1,4,10,13,7,16]tetraoxadiazacyclooctadecino[2,3-f]indole-18-acetic acid, 19-carboxy-28-[2-carboxy-3-(carboxymethyl)-1-methyl-3H-benz[e]indol-5-yl]-2,11-difluoro-6,7,14,15,23,24-hexahydro-20-methyl- (9CI)
Database identifiers
- CAS
113731-92-3- PubChem CID
- 195030
Properties
Computed structural propertiesFilling in
- XLogP
- 8.3
- Topological polar surface area
- 206 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 7
- Heavy atoms
- 69
- Formal charge
- 0
- Complexity
- 1,810
Related reactions
0 records
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Compound notes
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