Basic information
- CAS
142035-49-2- Standard SMILES
CC(=O)NC1C(OC(C)C(NC(=O)C(N)C(C)C)C(=O)NC(Cc2cnc[nH]2)C(=O)N2CCCC2C(=O)NCC(=O)NC(Cc2ccc(O)cc2)C(=O)O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O- InChIKey
RXJBJFGLMHMRTN-UHFFFAOYSA-N- Molecular formula
- C45H67N9O19
- Average molar mass
- 1,038.1 g/mol
- Monoisotopic mass
- 1,037.45532094
Overview
fibronectin fragment glycopeptide
Names & identifiers
- Preferred name
- Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr
- IUPAC
- 2-[[2-[[1-[2-[[3-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[(2-amino-3-methylbutanoyl)amino]butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
- English name
- Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyr
- Molecular formula
- C45H67N9O19
- Molecular weight
- 1038.06238
Names & synonyms
VgagathpgyV(Galbeta3GalNAcalpha)thpgy142035-49-2Val(galactosyl-3-galactosyl-N-acetyl)thr-his-pro-gly-tyrRefChem:193491L-Tyrosine, N-(N-(N-(N-(O-(2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-beta-D-galctopyranosyl)-N-L-valyl-L-threonyl)-L-histidyl)-L-prolyl)glycyl)-
Database identifiers
- CAS
142035-49-2- PubChem CID
- 3083349
Properties
Computed structural properties
- XLogP
- -6.2
- Topological polar surface area
- 436 Ų
- Hydrogen bond donors
- 15
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 23
- Heavy atoms
- 73
- Formal charge
- 0
- Complexity
- 1,880
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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