H-DL-Phe-DL-Val-DL-Asn-DL-Gln-DL-His-DL-Leu-DL-Cys(1)-Gly-DL-Ser-DL-His-DL-Leu-DL-Val-DL-Glu-DL-Ala-DL-Leu-DL-Tyr-DL-Leu-DL-Val-DL-Cys(2)-Gly-DL-Glu-DL-Arg-Gly-DL-Phe-DL-Phe-DL-Tyr-DL-xiThr-DL-Asp-DL-Lys-DL-xiThr-OH.H-Gly-DL-xiIle-DL-Val-DL-Glu-DL-Gln-DL-Cys(3)-DL-Cys(1)-DL-xiThr-DL-Ser-DL-xiIle-DL-Cys(3)-DL-Ser-DL-Leu-DL-Tyr-DL-Gln-DL-Leu-DL-Glu-DL-Asn-DL-Tyr-DL-Cys(2)-DL-Asn-OH（CAS号：116094-23-6）

CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(CSSCC(C(=O)NCC(=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(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(NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)NC(CC(=O)N)C(=O)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)O)C(C)C)CC(C)C)CC8=CC=C(C=C8)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC9=CNC=N9)CO)NC(=O)C(CC(C)C)NC(=O)C(CC2=CNC=N2)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)N)C(=O)NC(C(=O)NC(C(=O)N1)CO)C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)CN

InChI

InChI=1S/C256H381N65O79S6/c1-29-129(23)204(313-191(338)102-258)251(394)317-203(128(21)22)247(390)287-157(73-80-198(348)349)216(359)282-154(69-76-187(262)334)220(363)308-182-114-404-405-115-183-243(386)305-177(109-323)240(383)293-160(85-121(7)8)224(367)294-166(92-138-51-59-144(328)60-52-138)227(370)283-152(67-74-185(260)332)217(360)289-159(84-120(5)6)222(365)285-156(72-79-197(346)347)219(362)301-172(98-188(263)335)234(377)297-168(94-140-55-63-146(330)64-56-140)230(373)309-181(242(385)304-175(254(397)398)100-190(265)337)113-403-402-112-180(213(356)272-105-192(339)277-151(70-77-195(342)343)215(358)280-149(50-42-82-270-256(266)267)211(354)271-106-193(340)278-164(90-136-45-36-32-37-46-136)226(369)296-165(91-137-47-38-33-39-48-137)229(372)298-169(95-141-57-65-147(331)66-58-141)238(381)319-206(132(26)325)252(395)303-174(101-199(350)351)235(378)281-150(49-40-41-81-257)221(364)321-208(134(28)327)255(399)400)311-249(392)202(127(19)20)316-236(379)162(87-123(11)12)291-228(371)167(93-139-53-61-145(329)62-54-139)295-223(366)158(83-119(3)4)288-209(352)131(25)276-214(357)155(71-78-196(344)345)286-246(389)201(126(17)18)315-237(380)163(88-124(13)14)292-232(375)171(97-143-104-269-118-275-143)300-239(382)176(108-322)279-194(341)107-273-212(355)179(111-401-406-116-184(310-244(182)387)245(388)320-207(133(27)326)253(396)306-178(110-324)241(384)318-205(130(24)30-2)250(393)312-183)307-225(368)161(86-122(9)10)290-231(374)170(96-142-103-268-117-274-142)299-218(361)153(68-75-186(261)333)284-233(376)173(99-189(264)336)302-248(391)200(125(15)16)314-210(353)148(259)89-135-43-34-31-35-44-135/h31-39,43-48,51-66,103-104,117-134,148-184,200-208,322-331H,29-30,40-42,49-50,67-102,105-116,257-259H2,1-28H3,(H2,260,332)(H2,261,333)(H2,262,334)(H2,263,335)(H2,264,336)(H2,265,337)(H,268,274)(H,269,275)(H,271,354)(H,272,356)(H,273,355)(H,276,357)(H,277,339)(H,278,340)(H,279,341)(H,280,358)(H,281,378)(H,282,359)(H,283,370)(H,284,376)(H,285,365)(H,286,389)(H,287,390)(H,288,352)(H,289,360)(H,290,374)(H,291,371)(H,292,375)(H,293,383)(H,294,367)(H,295,366)(H,296,369)(H,297,377)(H,298,372)(H,299,361)(H,300,382)(H,301,362)(H,302,391)(H,303,395)(H,304,385)(H,305,386)(H,306,396)(H,307,368)(H,308,363)(H,309,373)(H,310,387)(H,311,392)(H,312,393)(H,313,338)(H,314,353)(H,315,380)(H,316,379)(H,317,394)(H,318,384)(H,319,381)(H,320,388)(H,321,364)(H,342,343)(H,344,345)(H,346,347)(H,348,349)(H,350,351)(H,397,398)(H,399,400)(H4,266,267,270)

InChIKey

WEDIKSVWBUKTRA-UHFFFAOYSA-N

LogP

-20.403830000000333

拓扑极性表面积

2345.1600000000008 Ų

氢键供体/受体

90 / 144

复杂度

14600