Somatomedin b

Structural Information

Molecular Formula

C₁₉₉H₂₉₉N₅₅O₇₄S₈

SMILES

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H]2C(=O)N[C@H](C(=O)N[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]3CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)O)CC4=CC=C(C=C4)O)CC(=O)O)[C@@H](C)O)NC(=O)[C@@H]5CSSC[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)N5)CO)CCC(=O)N)CC6=CC=C(C=C6)O)CC7=CC=C(C=C7)O)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2)CCCNC(=N)N)CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)O)N)NC(=O)[C@@H](NC3=O)CCC(=O)N)CC(=O)O)CCC(=O)O)CC(C)C)CCCCN)CCCCN)CC(=O)O)C(C)C)CC(=O)N)CC8=CC=CC=C8)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N9CCC[C@H]9C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)O)CCC(=O)O

InChI

InChI=1S/C199H299N55O74S8/c1-89(2)66-117-172(301)245-133-85-333-334-86-134(247-183(312)127(79-256)238-167(296)110(45-53-139(206)265)224-174(303)119(68-97-32-38-100(261)39-33-97)231-175(304)120(69-98-34-40-101(262)41-35-98)233-181(310)126(78-255)240-188(133)317)189(318)248-136-88-336-329-81-129-185(314)226-111(46-54-140(207)266)169(298)243-132(187(316)235-123(73-150(281)282)176(305)225-114(166(295)230-117)50-58-147(275)276)84-332-330-82-130(246-182(311)128(80-257)239-168(297)115(51-59-148(277)278)223-165(294)109(44-52-138(205)264)219-159(288)103(204)71-149(279)280)184(313)220-104(26-14-18-60-200)160(289)213-76-143(269)216-105(30-22-64-212-199(210)211)162(291)244-135(190(319)252-156(94(9)259)195(324)228-108(48-56-145(271)272)161(290)214-77-144(270)217-118(67-96-24-12-11-13-25-96)173(302)234-122(72-142(209)268)180(309)249-153(90(3)4)193(322)236-124(74-151(283)284)177(306)222-106(27-15-19-61-201)163(292)221-107(164(293)241-129)28-16-20-62-202)87-335-331-83-131(186(315)229-116(29-17-21-63-203)197(326)254-65-23-31-137(254)192(321)227-112(47-55-141(208)267)171(300)250-154(91(5)6)198(327)328)242-170(299)113(49-57-146(273)274)218-158(287)92(7)215-194(323)155(93(8)258)251-179(308)121(70-99-36-42-102(263)43-37-99)232-178(307)125(75-152(285)286)237-196(325)157(95(10)260)253-191(136)320/h11-13,24-25,32-43,89-95,103-137,153-157,255-263H,14-23,26-31,44-88,200-204H2,1-10H3,(H2,205,264)(H2,206,265)(H2,207,266)(H2,208,267)(H2,209,268)(H,213,289)(H,214,290)(H,215,323)(H,216,269)(H,217,270)(H,218,287)(H,219,288)(H,220,313)(H,221,292)(H,222,306)(H,223,294)(H,224,303)(H,225,305)(H,226,314)(H,227,321)(H,228,324)(H,229,315)(H,230,295)(H,231,304)(H,232,307)(H,233,310)(H,234,302)(H,235,316)(H,236,322)(H,237,325)(H,238,296)(H,239,297)(H,240,317)(H,241,293)(H,242,299)(H,243,298)(H,244,291)(H,245,301)(H,246,311)(H,247,312)(H,248,318)(H,249,309)(H,250,300)(H,251,308)(H,252,319)(H,253,320)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,327,328)(H4,210,211,212)/t92-,93+,94+,95+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,153-,154-,155-,156-,157-/m0/s1

InChIKey

NVWUSOZACWTATN-MVFMNALSSA-N

Compound name

(4S)-5-[[(2S)-1-[[(aR,1R,3aS,4S,7S,9aS,10S,13R,16S,19S,22S,25S,28S,31R,34R,37S,40S,43S,46S,49S,52S,55R,60R,63S,66S,72S,75S,78S,81S,84S,87S,90R,93S)-55-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-5-amino-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl]-3a,84,87-tris(4-aminobutyl)-75-(2-amino-2-oxoethyl)-25,93-bis(3-amino-3-oxopropyl)-72-benzyl-9a-(3-carbamimidamidopropyl)-7,52,66-tris(2-carboxyethyl)-4,40,81-tris(carboxymethyl)-37,46,63-tris[(1R)-1-hydroxyethyl]-16,28-bis(hydroxymethyl)-19,22,43-tris[(4-hydroxyphenyl)methyl]-49-methyl-10-(2-methylpropyl)-1a,2,4a,5,7a,8,10a,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,61,64,67,70,73,76,79,82,85,88,91,94-tetratriacontaoxo-78-propan-2-yl-13a,14a,17a,18a,57,58,97,98-octathia-2a,3,5a,6,8a,9,11a,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,62,65,68,71,74,77,80,83,86,89,92,95-tetratriacontazatetracyclo[58.35.16.413,31.434,90]nonadecahectan-a-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-[[(2S)-5-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 131750189