Try beta.chemspider
- 47 of 54 defined stereocentres
(4S)-4-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-[[(1S)-4-amino-1-[[(1R,4S,7S,10S,13S,16S,19S,22S,25S,28R,33R,36S,39S,42S,45S,48S,51S,54S,57S,60S,63S,69R,74R,77S,80S,83S,90R)-69-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxo-butanoyl]amino]-5-oxo-pentanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-33-[[2-[[(1S)-1-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S,2R)-1-[(2S)-2-[[(1S)-5-amino-1-[[(1S)-1-carboxy-2-hydroxy-propyl]carbamoyl]pentyl]carbamoyl]pyrrolidine-1-carbonyl]-2-hydroxy-propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-2-oxo-ethyl]carbamoyl]-28-[[(1S)-3-amino-1-carboxy-3-oxo-propyl]carbamoyl]-22-(2-amino-2-oxo-ethyl)-13-(3-amino-3-oxo-propyl)-19,51-bis(2-carboxyethyl)-77-(1-hydroxyethyl)-4,63,80-tris(hydroxymethyl)-10,25,42-tris[(4-hydroxyphenyl)methyl]-60-(4H-imidazol-4-ylmethyl)-7,16,39,45,57-pentaisobutyl-36,54-diisopropyl-48-methyl-2,5,8,11,14,17,20,23,26,35,38,41,44,47,50,53,56,59,62,65,68,75,78,81,84,91-hexacosaoxo-83-sec-butyl-30,31,71,72,87,88-hexathia-3,6,9,12,15,18,21,24,27,34,37,40,43,46,49,52,55,58,61,64,67,76,79,82,85,92-hexacosazabicyclo[72.11.7]dononacontan-90-yl]carbamoyl]-4-oxo-butyl]amino]-5-oxo-pentanoic acid
CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CC(C)C)Cc3ccc(cc3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)Cc4ccc(cc4)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](Cc6ccccc6)C(=O)N[C@@H](Cc7ccc(cc7)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)O)C(=O)O)C(C)C)CC(C)C)Cc9ccc(cc9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2C=NC=N2)CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2C=NC=N2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)[C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN
InChI=1S/C257H383N65O77S6/c1-29-131(23)205(313-193(339)104-259)252(393)317-204(130(21)22)248(389)288-159(75-82-200(349)350)217(358)282-156(71-78-189(263)335)221(362)308-183-116-403-404-117-184-243(384)305-178(111-324)240(381)294-162(88-123(7)8)225(366)295-168(95-140-53-61-146(329)62-54-140)228(369)283-154(69-76-187(261)333)218(359)290-161(87-122(5)6)223(364)285-158(74-81-199(347)348)220(361)302-174(101-190(264)336)235(376)298-170(97-142-57-65-148(331)66-58-142)231(372)309-182(242(383)304-176(255(396)397)103-192(266)338)115-402-401-114-181(214(355)273-107-194(340)278-153(72-79-197(343)344)216(357)281-151(51-42-84-271-257(267)268)212(353)272-108-195(341)279-166(93-138-46-36-32-37-47-138)227(368)297-167(94-139-48-38-33-39-49-139)230(371)299-171(98-143-59-67-149(332)68-60-143)238(379)320-208(135(27)327)254(395)322-85-43-52-186(322)246(387)286-152(50-40-41-83-258)222(363)321-209(136(28)328)256(398)399)311-250(391)203(129(19)20)316-236(377)164(90-125(11)12)292-229(370)169(96-141-55-63-147(330)64-56-141)296-224(365)160(86-121(3)4)289-210(351)133(25)277-215(356)157(73-80-198(345)346)287-247(388)202(128(17)18)315-237(378)165(91-126(13)14)293-233(374)173(100-145-106-270-120-276-145)301-239(380)177(110-323)280-196(342)109-274-213(354)180(113-400-405-118-185(310-244(183)385)245(386)319-207(134(26)326)253(394)306-179(112-325)241(382)318-206(132(24)30-2)251(392)312-184)307-226(367)163(89-124(9)10)291-232(373)172(99-144-105-269-119-275-144)300-219(360)155(70-77-188(262)334)284-234(375)175(102-191(265)337)303-249(390)201(127(15)16)314-211(352)150(260)92-137-44-34-31-35-45-137/h31-39,44-49,53-68,105-106,119-136,144-145,150-186,201-209,323-332H,29-30,40-43,50-52,69-104,107-118,258-260H2,1-28H3,(H2,261,333)(H2,262,334)(H2,263,335)(H2,264,336)(H2,265,337)(H2,266,338)(H,272,353)(H,273,355)(H,274,354)(H,277,356)(H,278,340)(H,279,341)(H,280,342)(H,281,357)(H,282,358)(H,283,369)(H,284,375)(H,285,364)(H,286,387)(H,287,388)(H,288,389)(H,289,351)(H,290,359)(H,291,373)(H,292,370)(H,293,374)(H,294,381)(H,295,366)(H,296,365)(H,297,368)(H,298,376)(H,299,371)(H,300,360)(H,301,380)(H,302,361)(H,303,390)(H,304,383)(H,305,384)(H,306,394)(H,307,367)(H,308,362)(H,309,372)(H,310,385)(H,311,391)(H,312,392)(H,313,339)(H,314,352)(H,315,378)(H,316,377)(H,317,393)(H,318,382)(H,319,386)(H,320,379)(H,321,363)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,396,397)(H,398,399)(H4,267,268,271)/t131-,132-,133?,134+,135+,136?,144?,145?,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-,186-,201-,202-,203-,204-,205-,206-,207-,208-,209-/m0/s1
HZEWFWIFPUWBCD-YAUMUJANSA-N
CSID:21258229, http://www.chemspider.com/Chemical-Structure.21258229.html (accessed 01:51, Apr 27, 2024)
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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