For research use only. Not for therapeutic Use.
| Catalog Number | M111294 |
| CAS Number | 135374-80-0 |
| Molecular Formula | C291H465N85O95S6 |
| Purity | ≥95% |
| Storage | Store at -20C |
| InChI | InChI=1S/C291H465N85O95S6/c1-27-141(12)223(368-232(412)143(14)319-236(416)161(66-40-48-96-292)324-245(425)169(74-56-104-314-291(310)311)332-259(439)183(111-155-60-34-29-35-61-155)346-248(428)173(79-88-207(304)392)340-276(456)202-133-475-474-130-160(300)235(415)345-190(118-216(403)404)256(436)320-144(15)233(413)370-226(149(20)384)287(467)364-202)281(461)355-192(120-218(407)408)264(444)351-191(119-217(405)406)265(445)363-201-132-477-476-131-200(275(455)342-179(94-106-472-25)252(432)329-167(72-46-54-102-298)242(422)334-171(77-86-205(302)390)246(426)327-164(69-43-51-99-295)240(420)325-163(68-42-50-98-294)239(419)326-165(70-44-52-100-296)243(423)335-177(83-92-214(399)400)249(429)347-182(110-154-58-32-28-33-59-154)258(438)330-162(67-41-49-97-293)237(417)322-146(17)290(470)471)362-251(431)178(84-93-215(401)402)336-244(424)168(73-47-55-103-299)331-260(440)184(112-156-62-36-30-37-63-156)353-280(460)222(140(10)11)367-272(452)198(128-380)358-263(443)188(116-211(308)396)323-213(398)124-315-277(457)203-75-57-105-376(203)289(469)194(109-137(4)5)356-250(430)174(80-89-208(305)393)338-269(449)196(126-378)359-286(466)229(152(23)387)374-268(448)193(121-219(409)410)350-253(433)180(95-107-473-26)341-270(450)197(127-379)360-285(465)228(151(22)386)373-266(446)185(113-157-64-38-31-39-65-157)354-283(463)225(148(19)383)369-234(414)145(16)321-282(462)224(147(18)382)375-288(468)230(153(24)388)372-255(435)176(82-91-210(307)395)343-278(458)220(138(6)7)366-273(453)199(129-381)361-284(464)227(150(21)385)371-254(434)175(81-90-209(306)394)337-257(437)181(108-136(2)3)352-279(459)221(139(8)9)365-267(447)189(117-212(309)397)349-271(451)195(125-377)357-262(442)187(115-159-123-313-135-317-159)348-261(441)186(114-158-122-312-134-316-158)344-231(411)142(13)318-238(418)170(76-85-204(301)389)333-241(421)166(71-45-53-101-297)328-247(427)172(339-274(201)454)78-87-206(303)391/h28-39,58-65,122-123,134-153,160-203,220-230,377-388H,27,40-57,66-121,124-133,292-300H2,1-26H3,(H2,301,389)(H2,302,390)(H2,303,391)(H2,304,392)(H2,305,393)(H2,306,394)(H2,307,395)(H2,308,396)(H2,309,397)(H,312,316)(H,313,317)(H,315,457)(H,318,418)(H,319,416)(H,320,436)(H,321,462)(H,322,417)(H,323,398)(H,324,425)(H,325,420)(H,326,419)(H,327,426)(H,328,427)(H,329,432)(H,330,438)(H,331,440)(H,332,439)(H,333,421)(H,334,422)(H,335,423)(H,336,424)(H,337,437)(H,338,449)(H,339,454)(H,340,456)(H,341,450)(H,342,455)(H,343,458)(H,344,411)(H,345,415)(H,346,428)(H,347,429)(H,348,441)(H,349,451)(H,350,433)(H,351,444)(H,352,459)(H,353,460)(H,354,463)(H,355,461)(H,356,430)(H,357,442)(H,358,443)(H,359,466)(H,360,465)(H,361,464)(H,362,431)(H,363,445)(H,364,467)(H,365,447)(H,366,453)(H,367,452)(H,368,412)(H,369,414)(H,370,413)(H,371,434)(H,372,435)(H,373,446)(H,374,448)(H,375,468)(H,399,400)(H,401,402)(H,403,404)(H,405,406)(H,407,408)(H,409,410)(H,470,471)(H4,310,311,314)/t141-,142-,143-,144-,145-,146-,147+,148+,149+,150+,151+,152+,153+,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,220-,221-,222-,223-,224-,225-,226-,227-,228-,229-,230-/m0/s1 |
| InChIKey | HCXLBYNBTBNDQZ-KFHPIRAKSA-N |
| SMILES | CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC1CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCC(=O)N)CCCCN)CCC(=O)N)C)CC3=CN=CN3)CC4=CN=CN4)CO)CC(=O)N)C(C)C)CC(C)C)CCC(=O)N)C(C)O)CO)C(C)C)CCC(=O)N)C(C)O)C(C)O)C)C(C)O)CC5=CC=CC=C5)C(C)O)CO)CCSC)CC(=O)O)C(C)O)CO)CCC(=O)N)CC(C)C)CC(=O)N)CO)C(C)C)CC6=CC=CC=C6)CCCCN)CCC(=O)O)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CC7=CC=CC=C7)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)O)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC8=CC=CC=C8)NC(=O)C(CCC(=O)N)NC(=O)C9CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N9)C(C)O)C)CC(=O)O)N |
