Thymosin

Structural Information

Molecular Formula

C₁₂₈H₂₁₆N₃₂O₅₁S

SMILES

CC[C@H](C)[C@H](C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@@H](CS)N

InChI

InChI=1S/C128H216N32O51S/c1-19-62(14)99(159-113(195)76(36-42-89(173)174)143-118(200)83(53-162)152-120(202)84(54-163)153-124(206)95(58(6)7)156-117(199)81(51-93(181)182)150-123(205)94(57(4)5)154-103(185)65(17)134-101(183)63(15)136-114(196)79(49-91(177)178)149-119(201)82(52-161)151-104(186)67(133)55-212)126(208)160-100(66(18)164)127(209)158-97(60(10)11)121(203)144-71(31-23-27-47-132)109(191)148-80(50-92(179)180)116(198)147-78(48-56(2)3)115(197)139-70(30-22-26-46-131)108(190)141-73(33-39-86(167)168)110(192)138-68(28-20-24-44-129)106(188)137-69(29-21-25-45-130)107(189)142-75(35-41-88(171)172)112(194)155-98(61(12)13)125(207)157-96(59(8)9)122(204)145-74(34-40-87(169)170)111(193)140-72(32-38-85(165)166)105(187)135-64(16)102(184)146-77(128(210)211)37-43-90(175)176/h56-84,94-100,161-164,212H,19-55,129-133H2,1-18H3,(H,134,183)(H,135,187)(H,136,196)(H,137,188)(H,138,192)(H,139,197)(H,140,193)(H,141,190)(H,142,189)(H,143,200)(H,144,203)(H,145,204)(H,146,184)(H,147,198)(H,148,191)(H,149,201)(H,150,205)(H,151,186)(H,152,202)(H,153,206)(H,154,185)(H,155,194)(H,156,199)(H,157,207)(H,158,209)(H,159,195)(H,160,208)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,210,211)/t62-,63-,64-,65-,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,94+,95+,96+,97+,98+,99+,100+/m0/s1

InChIKey

LCJVIYPJPCBWKS-NXPQJCNCSA-N

Compound name

(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R,3S)-2-[[(2R,3S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]pentanedioic acid

Related CIDs

• CID 44286042