Galanin (1-13)-mastoparan

Structural Information

Molecular Formula

C₁₃₃H₂₂₂N₃₄O₃₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)CN

InChI

InChI=1S/C133H222N34O32/c1-25-73(17)107(131(197)154-89(110(140)176)50-66(3)4)164-119(185)88(40-31-34-48-136)152-118(184)87(39-30-33-47-135)151-113(179)78(22)148-121(187)92(53-69(9)10)155-114(180)77(21)144-112(178)76(20)147-120(186)91(52-68(7)8)156-115(181)79(23)146-117(183)86(38-29-32-46-134)153-122(188)93(54-70(11)12)159-126(192)99(60-103(139)172)162-132(198)108(74(18)26-2)165-130(196)101-41-35-49-167(101)106(175)64-143-116(182)90(51-67(5)6)157-123(189)94(55-71(13)14)158-125(191)96(57-81-42-44-83(170)45-43-81)150-105(174)63-142-111(177)75(19)145-129(195)100(65-168)163-127(193)98(59-102(138)171)160-124(190)95(56-72(15)16)161-133(199)109(80(24)169)166-128(194)97(149-104(173)61-137)58-82-62-141-85-37-28-27-36-84(82)85/h27-28,36-37,42-45,62,66-80,86-101,107-109,141,168-170H,25-26,29-35,38-41,46-61,63-65,134-137H2,1-24H3,(H2,138,171)(H2,139,172)(H2,140,176)(H,142,177)(H,143,182)(H,144,178)(H,145,195)(H,146,183)(H,147,186)(H,148,187)(H,149,173)(H,150,174)(H,151,179)(H,152,184)(H,153,188)(H,154,197)(H,155,180)(H,156,181)(H,157,189)(H,158,191)(H,159,192)(H,160,190)(H,161,199)(H,162,198)(H,163,193)(H,164,185)(H,165,196)(H,166,194)/t73-,74-,75-,76-,77-,78-,79-,80+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,107-,108-,109-/m0/s1

InChIKey

QTAIPWKSPHFHFZ-BUBYYDMHSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[(2S)-2-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]butanediamide

Related CIDs

• CID 131698094