Insulin degludec

More details:

• Systematic name

  16-[[(1S)-4-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(1R,6R,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42R,47R,50S,53S,56S,59S,62S,65S,68S,71S,74R,77S,80S,83S,88R)-88-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-carboxy-butanoyl]amino]-5-oxo-pentanoyl]amino]-6-[[(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-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-47-[[(1S)-3-amino-1-carboxy-3-oxo-propyl]carbamoyl]-53-(2-amino-2-oxo-ethyl)-62-(3-amino-3-oxo-propyl)-24,56-bis(2-carboxyethyl)-83-[(1R)-1-hydroxyethyl]-12,71,80-tris(hydroxymethyl)-33,50,65-tris[(4-hydroxyphenyl)methyl]-15-(1H-imidazol-5-ylmethyl)-18,30,36,59,68-pentaisobutyl-21,39-diisopropyl-27-methyl-77-[(1S)-1-methylpropyl]-7,10,13,16,19,22,25,28,31,34,37,40,49,52,55,58,61,64,67,70,73,76,79,82,85,87-hexacosaoxo-3,4,44,45,90,91-hexathia-8,11,14,17,20,23,26,29,32,35,38,41,48,51,54,57,60,63,66,69,72,75,78,81,84,86-hexacosazabicyclo[72.11.7]dononacontane-42-carbonyl]amino]acetyl]amino]-4-carboxy-butanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]-[(1S)-1-carboxy-3-methyl-butyl]amino]-1-carboxy-4-oxo-butyl]amino]-16-oxo-hexadecanoic acid

• SMILES

  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](CC(C)C)C(=O)O)C(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCC(=O)O)C(C)C)CC(C)C)Cc9ccc(cc9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)Cc2cnc[nH]2)CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)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

• Std. InChi

  InChI=1S/C274H410N64O81S6/c1-30-146(25)223(329-209(355)118-275)267(410)333-222(145(23)24)263(406)304-172(88-96-218(368)369)234(377)299-169(83-91-204(279)350)238(381)324-197-130-423-424-131-198-259(402)321-192(125-340)256(399)310-176(101-137(7)8)241(384)311-182(109-154-65-73-160(344)74-66-154)244(387)300-167(81-89-202(277)348)235(378)306-175(100-136(5)6)239(382)302-171(87-95-217(366)367)237(380)318-188(115-205(280)351)251(394)314-184(111-156-69-77-162(346)78-70-156)247(390)325-196(258(401)320-190(272(416)417)117-207(282)353)129-422-421-128-195(231(374)289-121-210(356)294-166(85-93-215(362)363)233(376)298-165(61-53-97-287-274(283)284)229(372)288-122-211(357)296-180(107-152-57-47-43-48-58-152)243(386)313-181(108-153-59-49-44-50-60-153)246(389)315-185(112-157-71-79-163(347)80-72-157)254(397)336-226(150(29)343)270(413)337-98-54-62-200(337)269(412)338(201(273(418)419)105-141(15)16)213(359)92-84-173(271(414)415)295-208(354)63-51-40-38-36-34-32-33-35-37-39-41-52-64-214(360)361)327-265(408)221(144(21)22)332-252(395)178(103-139(11)12)308-245(388)183(110-155-67-75-161(345)76-68-155)312-240(383)174(99-135(3)4)305-227(370)148(27)293-232(375)170(86-94-216(364)365)303-262(405)220(143(19)20)331-253(396)179(104-140(13)14)309-249(392)187(114-159-120-286-134-292-159)317-255(398)191(124-339)297-212(358)123-290-230(373)194(127-420-425-132-199(326-260(197)403)261(404)335-225(149(28)342)268(411)322-193(126-341)257(400)334-224(147(26)31-2)266(409)328-198)323-242(385)177(102-138(9)10)307-248(391)186(113-158-119-285-133-291-158)316-236(379)168(82-90-203(278)349)301-250(393)189(116-206(281)352)319-264(407)219(142(17)18)330-228(371)164(276)106-151-55-45-42-46-56-151/h42-50,55-60,65-80,119-120,133-150,164-201,219-226,339-347H,30-41,51-54,61-64,81-118,121-132,275-276H2,1-29H3,(H2,277,348)(H2,278,349)(H2,279,350)(H2,280,351)(H2,281,352)(H2,282,353)(H,285,291)(H,286,292)(H,288,372)(H,289,374)(H,290,373)(H,293,375)(H,294,356)(H,295,354)(H,296,357)(H,297,358)(H,298,376)(H,299,377)(H,300,387)(H,301,393)(H,302,382)(H,303,405)(H,304,406)(H,305,370)(H,306,378)(H,307,391)(H,308,388)(H,309,392)(H,310,399)(H,311,384)(H,312,383)(H,313,386)(H,314,394)(H,315,389)(H,316,379)(H,317,398)(H,318,380)(H,319,407)(H,320,401)(H,321,402)(H,322,411)(H,323,385)(H,324,381)(H,325,390)(H,326,403)(H,327,408)(H,328,409)(H,329,355)(H,330,371)(H,331,396)(H,332,395)(H,333,410)(H,334,400)(H,335,404)(H,336,397)(H,360,361)(H,362,363)(H,364,365)(H,366,367)(H,368,369)(H,414,415)(H,416,417)(H,418,419)(H4,283,284,287)/t146-,147-,148-,149+,150+,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-,219-,220-,221-,222-,223-,224-,225-,226-/m0/s1

• Std. InChIKey

  CQVCGSSZJWKPAJ-WIWKJPBBSA-N

• Cite this record

  CSID:34980595, http://www.chemspider.com/Chemical-Structure.34980595.html (accessed 20:28, Apr 29, 2024)