YAP-TEAD-IN-1 TFA(1659305-79-9)名称与标识符
名称
中文别名：
YAP-TEAD (PEPTIDE 17)三氟乙酸盐;(S)-4-((S)-1-((S)-1-((S)-2-((3S,6S,9S,12R,18S,21S,24S,27S,30S,35AS)-18-((S)-2-((S)-1-((S)-2-乙酰氨基-3-甲基丁酰基)吡咯烷-2-甲酰胺基)-3-(3-氯苯基)丙酰胺基)-27-(4-氨基丁基)-9-苄基-30-丁基-24-(3-胍基丙基)-6-(羟甲基)-21-异丁基-3-甲基-1,4,7,10,19,22,25,28,31-九氧代三十二氢-1H-吡咯烷[2,1-P][1,2,5,8,11,14,17,20,23,26,29]DITHIANONAAZACYCLOTRITRIACONTINE-12-甲酰;(S)-4-((S)-1-((S)-1-((S)-2-((3S,6S,9S,12R,18S,21S,24S,27S,30S,35AS)-18-((S)-2-((S)-1-((S)-2-乙酰氨基-3-甲基丁酰基)吡咯烷-2-甲酰胺基)-3-(3-氯苯基)丙酰胺基)-27-(4-氨基丁基)-9-苄基-30-丁基-24-(3-胍基丙基)-6-(羟甲基)-21-异丁基-3-甲基-1,4,7,10,19,22,25,28,31-九氧代三十二氢-1H-吡咯烷[2,1-P][1,2,5,8,11,14,17,;化合物 YAP-TEAD-IN-1 TFA;
英文别名：
YAP-TEAD-IN-1 TFA;YAP-TEAD (Peptide 17).TFA;(S)-4-((S)-1-((S)-1-((S)-2-((3S,6S,9S,12R,18S,21S,24S,27S,30S,35AS)-18-((S)-2-((S)-1-((S)-2-Acetamido-3-methylbutanoyl)pyrrolidine-2-carboxamido)-3-(3-chlorophenyl)propanamido)-27-(4-aminobutyl)-9-benzyl-30-butyl-24-(3-guanidinopropyl)-6-(hydroxymethyl)-21-isobutyl-3-methyl-1,4,7,10,19,22,25,28,31-nonaoxodotriacontahydro-1H-pyrrolo[2,1-p][1,2,5,8,11,14,17,20,23,26,29]dithianonaazacyclotritriacontine-12-carboxamido)-6-aminohexanoyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamido)-5-amino-5-oxope;
标识符
InChIKey：
YOORGGLATWBZLS-WSOWYRKTSA-N
Inchi：
1S/C93H144ClN23O21S2.C2HF3O2/c1-8-9-27-63-89(135)114-41-19-31-70(114)86(132)101-54(6)77(123)112-68(50-118)84(130)110-66(48-56-23-11-10-12-24-56)83(129)113-69(85(131)108-64(29-14-16-39-96)90(136)117-44-22-34-73(117)91(137)115-42-20-32-71(115)87(133)103-59(76(97)122)35-36-74(120)121)51-140-139-45-37-62(80(126)109-65(46-52(2)3)81(127)105-61(30-18-40-100-93(98)99)78(124)104-60(79(125)107-63)28-13-15-38-95)106-82(128)67(49-57-25-17-26-58(94)47-57)111-88(134)72-33-21-43-116(72)92(138)75(53(4)5)102-55(7)119;3-2(4,5)1(6)7/h10-12,17,23-26,47,52-54,59-73,75,118H,8-9,13-16,18-22,27-46,48-51,95-96H2,1-7H3,(H2,97,122)(H,101,132)(H,102,119)(H,103,133)(H,104,124)(H,105,127)(H,106,128)(H,107,125)(H,108,131)(H,109,126)(H,110,130)(H,111,134)(H,112,123)(H,113,129)(H,120,121)(H4,98,99,100);(H,6,7)/t54-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69?,70-,71-,72-,73-,75-;/m0./s1
SMILES：
C(F)(F)(F)C(=O)O.C(N1CCC[C@H]1C(=O)N[C@H](C(=O)N)CCC(=O)O)([C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(C1CSSCC[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@@]([H])(CCCC)C(=O)N2CCC[C@@]2([H])C(=O)N[C@@H](C)C(=O)N[C@@]([H])(CO)C(=O)N[C@@H](CC2C=CC=CC=2)C(=O)N1)CCCCN)=O)CCCNC(N)=N)=O)CC(C)C)=O)NC(=O)[C@H](CC1C=CC=C(Cl)C=1)NC([C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)C)=O)=O)=O
1971401266 
