Big gastrin

More details:

• Systematic name

  (4S)-4-[[2-[[2-[[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[2-[[(2S)-1-[2-[[(2S)-5-amino-2-[[2-[[2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]acetyl]amino]-5-oxo-pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]-3-carboxy-propanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]-5-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[2-[[(1S)-2-[[2-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-3-carboxy-propyl]carbamoyl]-3-carboxy-propyl]carbamoyl]-3-carboxy-propyl]amino]-5-oxo-pentanoic acid

• SMILES

  C[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)NC(=O)CNC(=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)CNC(=O)CNC(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]5CCCN5C(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]6CCC(=O)N6

• Std. InChi

  InChI=1S/C132H194N40O49S/c1-66(2)45-84(169-125(214)78-27-34-92(175)156-78)120(209)147-54-96(179)143-60-103(186)158-75(25-32-90(135)173)117(206)152-64-106(189)171-42-15-23-88(171)131(220)150-56-98(181)140-51-93(176)139-52-94(177)141-58-100(183)155-68(4)116(205)168-86(48-112(199)200)121(210)148-55-97(180)142-59-102(185)157-73(21-11-13-40-133)122(211)161-74(22-12-14-41-134)123(212)162-76(26-33-91(136)174)119(208)153-65-107(190)172-43-16-24-89(172)132(221)151-57-99(182)144-61-104(187)159-79(29-36-109(193)194)124(213)164-81(31-38-111(197)198)127(216)165-80(30-37-110(195)196)126(215)163-77(28-35-108(191)192)118(207)149-63-101(184)154-67(3)115(204)146-53-95(178)145-62-105(188)160-85(47-70-50-138-72-20-10-9-19-71(70)72)129(218)166-82(39-44-222-5)128(217)170-87(49-113(201)202)130(219)167-83(114(137)203)46-69-17-7-6-8-18-69/h6-10,17-20,50,66-68,73-89,138H,11-16,21-49,51-65,133-134H2,1-5H3,(H2,135,173)(H2,136,174)(H2,137,203)(H,139,176)(H,140,181)(H,141,177)(H,142,180)(H,143,179)(H,144,182)(H,145,178)(H,146,204)(H,147,209)(H,148,210)(H,149,207)(H,150,220)(H,151,221)(H,152,206)(H,153,208)(H,154,184)(H,155,183)(H,156,175)(H,157,185)(H,158,186)(H,159,187)(H,160,188)(H,161,211)(H,162,212)(H,163,215)(H,164,213)(H,165,216)(H,166,218)(H,167,219)(H,168,205)(H,169,214)(H,170,217)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)/t67-,68-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-/m0/s1

• Std. InChIKey

  RZIMNEGTIDYAGZ-HNSJZBNRSA-N

• Cite this record

  CSID:17288965, http://www.chemspider.com/Chemical-Structure.17288965.html (accessed 01:45, Apr 28, 2024)