Beta-inhibin (67-94)

Structural Information

Molecular Formula

C₁₅₀H₂₄₀N₃₆O₄₃S₂

SMILES

CC[C@H](C)[C@H]1C(=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)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CC=C(C=C3)O)CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H]([C@@H](C)CC)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)O)[C@@H](C)O)CCCCN)CCCCN)CC(=O)O)CCCCN)CCCCN)CCC(=O)O)C(C)C)C(C)C

InChI

InChI=1S/C150H240N36O43S2/c1-14-81(10)117(158)143(221)174-101(67-85-37-18-17-19-38-85)135(213)165-93(43-24-31-61-153)126(204)161-92(42-23-30-60-152)127(205)167-98(53-56-112(192)193)133(211)173-104(70-115(198)199)136(214)178-108-76-230-231-77-109(141(219)176-107(75-188)139(217)181-118(78(4)5)145(223)177-106(74-187)138(216)168-99(54-57-113(194)195)132(210)172-103(69-87-72-159-90-40-21-20-39-89(87)90)124(202)160-73-111(191)180-122(150(228)229)83(12)16-3)179-148(226)123(84(13)189)185-134(212)97(47-28-35-65-157)164-128(206)96(46-27-34-64-156)169-142(220)110-48-36-66-186(110)149(227)105(71-116(200)201)175-130(208)95(45-26-33-63-155)162-125(203)91(41-22-29-59-151)163-131(209)100(55-58-114(196)197)170-144(222)119(79(6)7)182-146(224)120(80(8)9)183-147(225)121(82(11)15-2)184-137(215)102(68-86-49-51-88(190)52-50-86)171-129(207)94(166-140(108)218)44-25-32-62-154/h17-21,37-40,49-52,72,78-84,91-110,117-123,159,187-190H,14-16,22-36,41-48,53-71,73-77,151-158H2,1-13H3,(H,160,202)(H,161,204)(H,162,203)(H,163,209)(H,164,206)(H,165,213)(H,166,218)(H,167,205)(H,168,216)(H,169,220)(H,170,222)(H,171,207)(H,172,210)(H,173,211)(H,174,221)(H,175,208)(H,176,219)(H,177,223)(H,178,214)(H,179,226)(H,180,191)(H,181,217)(H,182,224)(H,183,225)(H,184,215)(H,185,212)(H,192,193)(H,194,195)(H,196,197)(H,198,199)(H,200,201)(H,228,229)/t81-,82-,83-,84+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,117-,118-,119-,120-,121-,122-,123-/m0/s1

InChIKey

MFCCPILCNRYHNN-BLKMXGSCSA-N

Compound name

(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,9S,12S,15S,18S,21S,24S,27S,30R,35R,38S,41S,44S,47S)-30-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-6,9,27,41,44-pentakis(4-aminobutyl)-21-[(2S)-butan-2-yl]-12-(2-carboxyethyl)-3-(carboxymethyl)-38-[(1R)-1-hydroxyethyl]-24-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaoxo-15,18-di(propan-2-yl)-32,33-dithia-1,4,7,10,13,16,19,22,25,28,36,39,42,45-tetradecazabicyclo[45.3.0]pentacontane-35-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 71308597