| CAS Number | 211990-57-7 |
| Catalog Number | AG00BBMC(AGN-PC-0QXRG6) |
| Chemical Name | Ac-IETD-AFC |
| IUPAC Name | (4S)-4-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-5-[[(2S,3R)-1-[[(2S)-3-carboxy-1-oxo-1-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]propan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid |
| InChI | InChI=1S/C31H38F3N5O12/c1-5-13(2)25(35-15(4)41)29(49)37-19(8-9-22(42)43)27(47)39-26(14(3)40)30(50)38-20(12-23(44)45)28(48)36-16-6-7-17-18(31(32,33)34)11-24(46)51-21(17)10-16/h6-7,10-11,13-14,19-20,25-26,40H,5,8-9,12H2,1-4H3,(H,35,41)(H,36,48)(H,37,49)(H,38,50)(H,39,47)(H,42,43)(H,44,45)/t13-,14+,19-,20-,25-,26-/m0/s1 |
| InChI Key | CGUOWXRXLQXOKO-FCQBACSVSA-N |
| MDL Number | MFCD02094703 |
| Molecular Formula | C31H38F3N5O12 |
| Molecular Weight | 729.6549 |
| SMILES | C(C1=CC(OC2=CC(=CC=C21)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)C)[C@@H](C)CC)=O)(F)(F)F |
| Synonyms | Ac-IETD-AFC,
acetyl-isoleucyl-glutamyl-threonyl-aspartyl-7-amino-4-trifluoromethylcoumarin,
211990-57-7,
Ac-IETD-AFC,
Ac-IGTD-AFC,
Ac-Ile-Glu-Thr-Asp-AFC,
Ac-Ile-Glu-Thr-Asp-7-Amino-4-trifluoromethylcoumarin,
MFCD02094703,
ZINC97972717,
Ac-Ile-Glu-Thr-Asp-7-amino-4-trifluoro-methylcoumarin,
N-Acetyl-ile-glu-thr-asp-(7-amino-4-(trifluoromethyl)coumarin),
N-Acetyl-Ile-Glu-Thr-Asp-7-amino-4-(trifluoromethyl)coumarin,
(4S,7S,10S,13S)-4-sec-butyl-7-(2-carboxyethyl)-10-((R)-1-hydroxyethyl)-2,5,8,11-tetraoxo-13-(2-oxo-4-(trifluoromethyl)-2H-chromen-7-ylcarbamoyl)-3,6,9,12-tetraazapentadecan-15-oic acid,
L-a-Asparagine,N-acetyl-L-isoleucyl-L-a-glutamyl-L-threonyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-(9CI),
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