Gastrin-releasing peptide

Structural Information

Molecular Formula

C₁₂₆H₁₉₇N₃₇O₃₂S₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C(C)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](CCSC)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC6=CN=CN6)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]7CCCN7C(=O)[C@H](C)N)O

InChI

InChI=1S/C126H197N37O32S2/c1-62(2)44-83(154-120(189)102(67(11)12)161-122(191)103(71(16)165)157-98(172)56-137-94(168)54-136-95(169)55-139-119(188)100(65(7)8)159-115(184)90(59-164)156-121(190)101(66(9)10)160-117(186)92-31-24-40-162(92)123(192)68(13)128)109(178)143-69(14)104(173)147-80(28-21-22-38-127)107(176)148-81(36-42-196-17)108(177)155-89(46-72-32-34-76(166)35-33-72)124(193)163-41-25-30-91(163)116(185)149-79(29-23-39-134-126(130)131)106(175)138-57-96(170)146-88(50-93(129)167)114(183)153-87(49-75-53-133-61-142-75)113(182)152-85(47-73-51-135-78-27-20-19-26-77(73)78)110(179)144-70(15)105(174)158-99(64(5)6)118(187)140-58-97(171)145-86(48-74-52-132-60-141-74)112(181)151-84(45-63(3)4)111(180)150-82(125(194)195)37-43-197-18/h19-20,26-27,32-35,51-53,60-71,79-92,99-103,135,164-166H,21-25,28-31,36-50,54-59,127-128H2,1-18H3,(H2,129,167)(H,132,141)(H,133,142)(H,136,169)(H,137,168)(H,138,175)(H,139,188)(H,140,187)(H,143,178)(H,144,179)(H,145,171)(H,146,170)(H,147,173)(H,148,176)(H,149,185)(H,150,180)(H,151,181)(H,152,182)(H,153,183)(H,154,189)(H,155,177)(H,156,190)(H,157,172)(H,158,174)(H,159,184)(H,160,186)(H,161,191)(H,194,195)(H4,130,131,134)/t68-,69-,70-,71+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,99-,100-,101-,102-,103-/m0/s1

InChIKey

JDEAYKDFRCQIIH-GZDVRPNBSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid

Related CIDs

• CID 56841900