Basic information
- CAS
147103-09-1- Standard SMILES
CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O- InChIKey
AQWKOAKNUGDHHM-KGYLXKDPSA-N- Molecular formula
- C28H43N9O10
- Average molar mass
- 665.7 g/mol
- Monoisotopic mass
- 665.3132886
Overview
a RGD-containing peptide
Names & identifiers
- Preferred name
- Glycyl-arginyl-glycyl-aspartyl-valyl-tyrosine
- IUPAC
- (3S)-3-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
- English name
- glycyl-arginyl-glycyl-aspartyl-valyl-tyrosine
- Molecular formula
- C28H43N9O10
- Molecular weight
- 665.7
Names & synonyms
GrgdvyGly-arg-gly-asp-val-tyrGlycyl-arginyl-glycyl-aspartyl-valyl-tyrosine147103-09-1RefChem:143959L-Tyrosine, N-(N-(N-(N-(N2-glycyl-L-arginyl)glycyl)-L-alpha-aspartyl)-L-valyl)-SCHEMBL29435100DTXSID50933031(3S)-3-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acidN-[(6S,12S,15S)-1-Amino-6-[(2-amino-1-hydroxyethylidene)amino]-12-(carboxymethyl)-7,10,13,16-tetrahydroxy-1-imino-15-(propan-2-yl)-2,8,11,14-tetraazahexadeca-7,10,13-trien-16-ylidene]-L-tyrosineN-{16-Amino-11-[(2-amino-1-hydroxyethylidene)amino]-5-(carboxymethyl)-1,4,7,10-tetrahydroxy-16-imino-2-(propan-2-yl)-3,6,9,15-tetraazahexadeca-3,6,9-trien-1-ylidene}tyrosineL-Tyrosine, glycyl-L-arginylglycyl-L-α-aspartyl-L-valyl-
Database identifiers
- CAS
147103-09-1
Properties
Computed structural properties
- XLogP
- -4.9
- Topological polar surface area
- 331 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 20
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,140
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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