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| CAS No.: | 82317-97-3 |
|---|---|
| Name: | 6-(3-(m-(TRIFLUOROMETHYL)PHENYL)-d-ALANINE)-LHRH ACETATE |
| Molecular Structure: | |
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| Formula: | C63H80F3N17O13•C2H4O2 |
| Molecular Weight: | 1400.66 |
| Safety: | Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx and F−. |
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Chemistry
IUPAC Name: Acetic acid ; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-Amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Following is the structure of 6-(3-(m-(Trifluoromethyl)phenyl)-D-alanine)-LHRH acetate (CAS NO.82317-97-3):
Molecular Formula: C65H84F3N17O15
Molecular Weight of 6-(3-(m-(Trifluoromethyl)phenyl)-D-alanine)-LHRH acetate (CAS NO.82317-97-3): 1400.46257 g/mol
Canonical SMILES: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CC(=CC=C2)C(F)(F)F)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CO)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=NC=NC6)NC(=O)C7CCC(=O)N7.CC(=O)O
Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=CC(=CC=C2)C(F)(F)F)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC6=NC=NC6)NC(=O)[C@@H]7CCC(=O)N7.CC(=O)O
InChI: InChI=1S/C63H80F3N17O13.C2H4O2/c1-33(2)22-44(54(89)76-43(12-6-20-71-62(68)69)61(96)83-21-7-13-50(83)60(95)73-30-51(67)86)77-56(91)46(25-35-8-5-9-37(23-35)63(64,65)66)78-55(90)45(24-34-14-16-39(85)17-15-34)79-59(94)49(31-84)82-57(92)47(26-36-28-72-41-11-4-3-10-40(36)41)80-58(93)48(27-38-29-70-32-74-38)81-53(88)42-18-19-52(87)75-42;1-2(3)4/h3-5,8-11,14-17,23,28,32-33,42-50,72,84-85H,6-7,12-13,18-22,24-27,29-31H2,1-2H3,(H2,67,86)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71);1H3,(H,3,4)/t42-,43-,44-,45-,46+,47-,48-,49-,50-;/m0./s1
InChIKey: JWXJJNBTAIBJSA-OQPFYVBKSA-N
Safety Profile
Experimental reproductive effects. When heated to decomposition, 6-(3-(m-(Trifluoromethyl)phenyl)-D-alanine)-LHRH acetate (CAS NO.82317-97-3) emits toxic vapors of NOx and F−.
Specification
6-(3-(m-(Trifluoromethyl)phenyl)-D-alanine)-LHRH acetate , its cas register number is 82317-97-3. It also can be called (D-Mtf6)-LHRH acetate ; anf Luteinizing hormone-releasing factor (pig), 6-(3-(trifluoromethyl)-D-phenylalanine), monoacetate, (salt) . Its classification code are Hormone and Reproductive Effect.