Gastrin human

Structural Information

Molecular Formula

C₁₈₂H₂₆₄N₄₄O₅₃S₂

SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@@H]7CCCN7C(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC8=CN=CN8)NC(=O)[C@@H]9CCCN9C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1

InChI

InChI=1S/C182H264N44O53S2/c1-92(2)73-123(219-178(275)134-40-28-69-225(134)181(278)121-49-57-139(230)199-121)158(255)191-87-140(231)200-124(74-93(3)4)170(267)205-113(48-56-138(186)229)157(254)194-90-143(234)224-68-30-42-136(224)182(279)226-70-29-41-135(226)179(276)221-130(81-104-86-188-91-195-104)173(270)217-126(76-95(7)8)176(273)222-151(96(9)10)180(277)198-99(13)155(252)215-131(82-149(245)246)175(272)216-125(75-94(5)6)169(266)197-97(11)153(250)202-110(37-23-25-65-183)161(258)203-111(38-24-26-66-184)162(259)204-112(47-55-137(185)228)156(253)193-89-142(233)223-67-27-39-133(223)177(274)220-129(80-103-85-190-109-36-22-20-34-107(103)109)172(269)212-119(63-71-280-14)167(264)210-118(54-62-148(243)244)166(263)209-117(53-61-147(241)242)165(262)208-116(52-60-146(239)240)164(261)207-115(51-59-145(237)238)163(260)206-114(50-58-144(235)236)160(257)196-98(12)154(251)214-127(78-101-43-45-105(227)46-44-101)159(256)192-88-141(232)201-128(79-102-84-189-108-35-21-19-33-106(102)108)171(268)211-120(64-72-281-15)168(265)218-132(83-150(247)248)174(271)213-122(152(187)249)77-100-31-17-16-18-32-100/h16-22,31-36,43-46,84-86,91-99,110-136,151,189-190,227H,23-30,37-42,47-83,87-90,183-184H2,1-15H3,(H2,185,228)(H2,186,229)(H2,187,249)(H,188,195)(H,191,255)(H,192,256)(H,193,253)(H,194,254)(H,196,257)(H,197,266)(H,198,277)(H,199,230)(H,200,231)(H,201,232)(H,202,250)(H,203,258)(H,204,259)(H,205,267)(H,206,260)(H,207,261)(H,208,262)(H,209,263)(H,210,264)(H,211,268)(H,212,269)(H,213,271)(H,214,251)(H,215,252)(H,216,272)(H,217,270)(H,218,265)(H,219,275)(H,220,274)(H,221,276)(H,222,273)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)/t97-,98-,99-,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-,151-/m0/s1

InChIKey

OKGNKPYIPKMGLR-ZPCKCTIPSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-4-methyl-2-[[2-[[(2S)-4-methyl-2-[[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]pentanoyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16132262