IRL-1038 ,144602-02-8 _Chemical Cloud Database

IRL-1038

Basic Information
Product Name：	IRL-1038
CAS：	144602-02-8
English Synonyms：	CVYFCHLDIIW ; IRL-1038 ; ENDOTHELIN-1 (11-21) ; [CYS11, CYS15]ENDOTHELIN-I (11-21) ; CYS-VAL-TYR-PHE-CYS-HIS-LEU-ASP-ILE-ILE-TRP ; H-CYS-VAL-TYR-PHE-CYS-HIS-LEU-ASP-ILE-ILE-TRP-OH ; ENDOTHELIN-1 (11-21), HUMAN ; [CYS11-CYS15]-ENDOTHELIN-1 (11-21)
MDL Number.：	MFCD00214658
H bond acceptor：	29
H bond donor：	16
Smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)Cc5ccccc5)Cc6ccc(cc6)O)C(C)C)N
InChi：	InChI=1S/C68H92N14O15S2/c1-9-37(7)56(66(94)78-52(68(96)97)27-41-30-71-46-19-15-14-18-44(41)46)82-67(95)57(38(8)10-2)81-63(91)51(29-54(84)85)76-59(87)47(24-35(3)4)73-62(90)50(28-42-31-70-34-72-42)75-64(92)53-33-99-98-32-45(69)58(86)80-55(36(5)6)65(93)77-49(26-40-20-22-43(83)23-21-40)60(88)74-48(61(89)79-53)25-39-16-12-11-13-17-39/h11-23,30-31,34-38,45,47-53,55-57,71,83H,9-10,24-29,32-33,69H2,1-8H3,(H,70,72)(H,73,90)(H,74,88)(H,75,92)(H,76,87)(H,77,93)(H,78,94)(H,79,89)(H,80,86)(H,81,91)(H,82,95)(H,84,85)(H,96,97)/t37-,38-,45-,47-,48-,49-,50-,51-,52-,53-,55-,56-,57-/m0/s1
InChiKey：	InChIKey=OETKRDJJNWJFOP-PJLZVMSOSA-N

* If the product has intellectual property rights, a license granted is must or contact us.