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Substance Name: Gastrin heptadecapeptide, leu(15)-
RN: 39024-57-2
UNII: N7B0W9S90B
InChIKey: LNMSYFTWEWHYHX-UHFFFAOYSA-N

Molecular Formula

  • C98-H126-N20-O31

Molecular Weight

  • 2082.1982
 
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Names and Synonyms

Name of Substance

  • Gastrin heptadecapeptide, leu(15)-

Synonyms

  • EINECS 254-250-2
  • UNII-N7B0W9S90B

Systematic Names

  • 18-34-Gastrin I (pig), 18-(5-oxo-L-proline)-22-L-leucine-32-L-leucine-
  • 18-34-Gastrin I, 18-(5-oxo-L-proline)-22-L-leucine-32-L-leucine-

Registry Numbers

CAS Registry Number

  • 39024-57-2

FDA UNII

  • N7B0W9S90B

System Generated Number

  • 0039024572

Structure Descriptors

InChI

1S/C98H128N20O31/c1-49(2)38-68(115-96(147)72(43-55-46-101-60-19-12-10-17-58(55)60)117-98(149)74-20-13-37-118(74)77(122)48-103-86(137)61-25-31-75(120)105-61)93(144)111-66(30-36-82(131)132)92(143)110-65(29-35-81(129)130)91(142)109-64(28-34-80(127)128)90(141)108-63(27-33-79(125)126)89(140)107-62(26-32-78(123)124)88(139)104-51(5)85(136)113-70(41-53-21-23-56(119)24-22-53)87(138)102-47-76(121)106-71(42-54-45-100-59-18-11-9-16-57(54)59)95(146)114-69(39-50(3)4)94(145)116-73(44-83(133)134)97(148)112-67(84(99)135)40-52-14-7-6-8-15-52/h6-12,14-19,21-24,45,49-51,55,61-74,100-101,119H,13,20,25-44,46-48H2,1-5H3,(H2,99,135)(H,102,138)(H,103,137)(H,104,139)(H,105,120)(H,106,121)(H,107,140)(H,108,141)(H,109,142)(H,110,143)(H,111,144)(H,112,148)(H,113,136)(H,114,146)(H,115,147)(H,116,145)(H,117,149)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)

InChIKey

LNMSYFTWEWHYHX-UHFFFAOYSA-N

Smiles

c1c(CC(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(CC2c3ccccc3NC2)NC(=O)C2CCCN2C(=O)CNC(=O)C2NC(=O)CC2)CC(C)C)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)Cc2ccc(cc2)O)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(Cc2ccccc2)C(=O)N)CC(=O)O)c2c([nH]1)cccc2