GF 94
Basic information
- CAS
80658-46-4- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1C=CCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O- InChIKey
GQRQBTVVQACSCK-AXPLDACSSA-N- Molecular formula
- C53H76N14O13
- Average molar mass
- 1,117.3 g/mol
- Monoisotopic mass
- 1,116.57162853
Overview
delta proline (9) of teprotide replaced with 3,4-dehydroproline
Names & identifiers
- Preferred name
- GF 94
- IUPAC
- (2S)-1-[(2S)-1-[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-2,5-dihydropyrrole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
- English name
- GF 94
- Molecular formula
- C53H76N14O13
- Molecular weight
- 1117.26
Names & synonyms
GF 9480658-46-4GF-94L-Proline, 1-(1-(N-(N2-(1-(N2-(3,4-didehydro-1-(N-L-alpha-glutamyl-L-tryptophyl)-L-prolyl)-L-arginyl)-L-prolyl)-L-glutaminyl)-L-isoleucyl)-L-prolyl)-RefChem:143073(2S)-1-[(2S)-1-[(2S,3S)-2-[[(2S)-5-Amino-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-2,5-dihydropyrrole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acidorb1697107SCHEMBL29488759AKOS040751906((S)-1-(L-glutamyl-L-tryptophyl)-2,5-dihydro-1H-pyrrole-2-carbonyl)-L-arginyl-L-prolyl-L-glutaminyl-L-isoleucyl-L-prolyl-L-prolineT31925L-Proline, 1-[1-[N-[N2-[1-[N2-[3,4-didehydro-1-(N-L-α-glutamyl-L-tryptophyl)-L-prolyl]-L-arginyl]-L-prolyl]-L-glutaminyl]-L-isoleucyl]-L-prolyl]- (9CI)
Database identifiers
- CAS
80658-46-4
Properties
Computed structural properties
- XLogP
- -3.7
- Topological polar surface area
- 422 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 27
- Heavy atoms
- 80
- Formal charge
- 0
- Complexity
- 2,370
Physicochemical properties
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 3.44 · 3.44±0.20(Predicted)
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Related reactions
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Compound notes
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