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Substance Name: 18-34-Gastrin I (pig), 18-(5-oxo-l-proline)-22-l-leucine-, ammonium salt
RN: 16904-51-1
InChIKey: ZVEKSEZMFGSWEO-DHZGEYGNSA-N

Molecular Formula

  • C97-H124-N20-O31-S.x-H3-N

Molecular Weight

  • 2115.2523
 
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Names and Synonyms

Synonym

  • EINECS 240-952-6

Systematic Name

  • 18-34-Gastrin I (pig), 18-(5-oxo-l-proline)-22-l-leucine-, ammonium salt

Registry Numbers

CAS Registry Number

  • 16904-51-1

System Generated Number

  • 0016904511

Molecular Formulas

Molecular Formula

  • C97-H124-N20-O31-S.x-H3-N

Molecular Formula Fragments

  • C97-H124-N20-O31-S
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C97H124N20O31S.H3N/c1-49(2)39-68(114-95(146)71(43-54-46-100-59-18-11-9-16-57(54)59)116-97(148)73-19-12-37-117(73)76(121)48-102-85(136)60-24-30-74(119)104-60)93(144)110-65(29-35-81(130)131)91(142)109-64(28-34-80(128)129)90(141)108-63(27-33-79(126)127)89(140)107-62(26-32-78(124)125)88(139)106-61(25-31-77(122)123)87(138)103-50(3)84(135)113-69(41-52-20-22-55(118)23-21-52)86(137)101-47-75(120)105-70(42-53-45-99-58-17-10-8-15-56(53)58)94(145)111-66(36-38-149-4)92(143)115-72(44-82(132)133)96(147)112-67(83(98)134)40-51-13-6-5-7-14-51;/h5-11,13-18,20-23,45-46,49-50,60-73,99-100,118H,12,19,24-44,47-48H2,1-4H3,(H2,98,134)(H,101,137)(H,102,136)(H,103,138)(H,104,119)(H,105,120)(H,106,139)(H,107,140)(H,108,141)(H,109,142)(H,110,144)(H,111,145)(H,112,147)(H,113,135)(H,114,146)(H,115,143)(H,116,148)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133);1H3/t50-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-;/m0./s1

InChIKey

ZVEKSEZMFGSWEO-DHZGEYGNSA-N

Smiles

C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)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](CC(C)C)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)[C@@H]7CCCN7C(=O)CNC(=O)[C@@H]8CCC(=O)N8.N