CID 16131099（CAS号：11070-73-8）

CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC1CSSCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(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)CNC(=O)C(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)C(C)C)CO)C)NC1=O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC4=CC=CC=C4)N)CO)CC5=CN=CN5)CC(C)C)C(C)C)CCC(=O)O)C)CC(C)C)CC6=CC=C(C=C6)O)CC(C)C)C(C)C)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC7=CC=CC=C7)C(=O)NC(CC8=CC=CC=C8)C(=O)NC(CC9=CC=C(C=C9)O)C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C)C(=O)O)C(=O)NC(CC(=O)N)C(=O)O)CC1=CC=C(C=C1)O)CC(=O)N)CCC(=O)O)CC(C)C)CCC(=O)N)CC1=CC=C(C=C1)O)CC(C)C)CO)NC(=O)CN

InChI

InChI=1S/C254H377N65O75S6/c1-29-131(24)205(312-192(334)103-256)250(389)317-204(130(22)23)246(385)287-158(74-81-199(344)345)216(355)281-155(70-77-188(260)330)220(359)307-183-116-399-400-117-184-242(381)305-177(110-321)238(377)293-161(87-122(6)7)223(362)294-167(94-139-52-60-145(324)61-53-139)226(365)282-153(68-75-186(258)328)217(356)289-160(86-121(4)5)221(360)284-157(73-80-198(342)343)219(358)301-173(100-189(261)331)233(372)297-169(96-141-56-64-147(326)65-57-141)229(368)308-182(241(380)303-175(253(393)394)102-191(263)333)115-398-396-113-180(212(351)270-106-193(335)277-152(71-78-196(338)339)215(354)280-150(50-41-83-268-254(264)265)210(349)269-107-194(336)278-165(92-137-45-35-31-36-46-137)225(364)296-166(93-138-47-37-32-38-48-138)228(367)298-170(97-142-58-66-148(327)67-59-142)236(375)318-206(135(28)323)251(390)319-84-42-51-185(319)244(383)285-151(49-39-40-82-255)213(352)276-134(27)252(391)392)310-248(387)202(128(18)19)315-234(373)163(89-124(10)11)291-227(366)168(95-140-54-62-146(325)63-55-140)295-222(361)159(85-120(2)3)288-207(346)132(25)274-214(353)156(72-79-197(340)341)286-245(384)201(127(16)17)314-235(374)164(90-125(12)13)292-231(370)172(99-144-105-267-119-273-144)300-237(376)176(109-320)279-195(337)108-271-211(350)179(112-395-397-114-181(309-243(183)382)240(379)275-133(26)208(347)304-178(111-322)239(378)316-203(129(20)21)249(388)311-184)306-224(363)162(88-123(8)9)290-230(369)171(98-143-104-266-118-272-143)299-218(357)154(69-76-187(259)329)283-232(371)174(101-190(262)332)302-247(386)200(126(14)15)313-209(348)149(257)91-136-43-33-30-34-44-136/h30-38,43-48,52-67,104-105,118-135,149-185,200-206,320-327H,29,39-42,49-51,68-103,106-117,255-257H2,1-28H3,(H2,258,328)(H2,259,329)(H2,260,330)(H2,261,331)(H2,262,332)(H2,263,333)(H,266,272)(H,267,273)(H,269,349)(H,270,351)(H,271,350)(H,274,353)(H,275,379)(H,276,352)(H,277,335)(H,278,336)(H,279,337)(H,280,354)(H,281,355)(H,282,365)(H,283,371)(H,284,360)(H,285,383)(H,286,384)(H,287,385)(H,288,346)(H,289,356)(H,290,369)(H,291,366)(H,292,370)(H,293,377)(H,294,362)(H,295,361)(H,296,364)(H,297,372)(H,298,367)(H,299,357)(H,300,376)(H,301,358)(H,302,386)(H,303,380)(H,304,347)(H,305,381)(H,306,363)(H,307,359)(H,308,368)(H,309,382)(H,310,387)(H,311,388)(H,312,334)(H,313,348)(H,314,374)(H,315,373)(H,316,378)(H,317,389)(H,318,375)(H,338,339)(H,340,341)(H,342,343)(H,344,345)(H,391,392)(H,393,394)(H4,264,265,268)/t131-,132-,133-,134-,135+,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,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-,200-,201-,202-,203-,204-,205-,206-/m0/s1

InChIKey

IXIBAKNTJSCKJM-BUBXBXGNSA-N

LogP

-18.48423000000041

拓扑极性表面积

2258.609999999999 Ų

氢键供体/受体

86 / 140

复杂度

14400