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Substance Name: DM-Gastrin
RN: 147666-79-3
InChIKey: LDHMGKZTHNNIHB-ZPYCMFNYSA-N

Molecular Formula

  • C131-H186-N20-O36-S

Molecular Weight

  • 2649.0804
 
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Names and Synonyms

Name of Substance

  • DM-Gastrin

Synonyms

  • (2R,S)-1,2-Dimyristoyl-3-mercaptoglycerol-nalpha-maleoyl-beta-alanyl-(nle(15))-human-gastrin(2-17) adduct
  • Dimyristoylmercaptoglycerol-nalpha-maleoyl-beta-alanyl-norleucine-15-little-gastrin(2-17) adduct

Systematic Name

  • 19-34-Gastrin I (pig), N-(3-(3-((2,3-bis((1-oxotetradecyl)oxy)propyl)thio)-2,5-dioxo-1-pyrrolidinyl)-1-oxopropyl)-22-L-leucine-32-L-norleucine-

Registry Numbers

CAS Registry Number

  • 147666-79-3

System Generated Number

  • 0147666793

Structure Descriptors

InChI

1S/C131H186N20O36S/c1-7-10-13-15-17-19-21-23-25-27-32-47-115(169)186-77-86(187-116(170)48-33-28-26-24-22-20-18-16-14-11-8-2)78-188-104-72-107(155)151(131(104)185)65-63-105(153)135-76-108(156)150-64-38-46-103(150)130(184)149-101(70-84-74-134-90-45-37-35-42-88(84)90)128(182)147-98(66-79(4)5)126(180)144-96(57-62-113(165)166)125(179)143-95(56-61-112(163)164)124(178)142-94(55-60-111(161)162)123(177)141-93(54-59-110(159)160)122(176)140-92(53-58-109(157)158)120(174)137-80(6)118(172)146-99(68-82-49-51-85(152)52-50-82)119(173)136-75-106(154)138-100(69-83-73-133-89-44-36-34-41-87(83)89)127(181)139-91(43-12-9-3)121(175)148-102(71-114(167)168)129(183)145-97(117(132)171)67-81-39-30-29-31-40-81/h29-31,34-37,39-42,44-45,49-52,73-74,79-80,86,91-104,133-134,152H,7-28,32-33,38,43,46-48,53-72,75-78H2,1-6H3,(H2,132,171)(H,135,153)(H,136,173)(H,137,174)(H,138,154)(H,139,181)(H,140,176)(H,141,177)(H,142,178)(H,143,179)(H,144,180)(H,145,183)(H,146,172)(H,147,182)(H,148,175)(H,149,184)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)/t80-,86?,91-,92-,93-,94-,95-,96-,97?,98-,99-,100-,101-,102-,103-,104?/m0/s1

InChIKey

LDHMGKZTHNNIHB-ZPYCMFNYSA-N

Smiles

CCCCCCCCCCCCCC(=O)OCC(CSC1CC(=O)N(C1=O)CCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)NCC(=O)N[C@@H](Cc6c[nH]c7c6cccc7)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)NC(Cc8ccccc8)C(=O)N)OC(=O)CCCCCCCCCCCCC