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Substance Name: Dextronatrin
RN: 114752-42-0
InChIKey: PHMJESQTBHPHMY-POMMFSKGSA-N

Molecular Formula

  • C110-H164-N34-O32-S2

Molecular Weight

  • 2540.8594
 
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Names and Synonyms

Name of Substance

  • Dextronatrin

Synonym

  • 2-D-Tyrosine-2-24-atrial natriuretic peptide-24 (rat)

Systematic Name

  • 2-24-Atrial natriuretic peptide-24 (rat), 2-D-tyrosine-

Registry Numbers

CAS Registry Number

  • 114752-42-0

System Generated Number

  • 0114752420

Structure Descriptors

InChI

1S/C110H166N34O32S2/c1-8-56(5)88(143-98(166)68(25-18-38-122-110(118)119)134-101(169)74(45-87(156)157)138-106(174)89(57(6)9-2)144-97(165)66(23-16-36-120-108(114)115)129-84(153)47-123-82(151)46-124-93(161)71(41-59-19-12-10-13-20-59)135-104(172)79(54-178)142-91(159)65(111)40-61-26-30-63(147)31-27-61)105(173)127-48-83(152)128-58(7)90(158)132-69(34-35-80(112)149)96(164)140-76(51-145)94(162)126-49-85(154)130-70(39-55(3)4)92(160)125-50-86(155)131-78(53-177)103(171)137-73(44-81(113)150)100(168)141-77(52-146)102(170)136-72(42-60-21-14-11-15-22-60)99(167)133-67(24-17-37-121-109(116)117)95(163)139-75(107(175)176)43-62-28-32-64(148)33-29-62/h10-15,19-22,26-33,55-58,65-79,88-89,145-148,177-178H,8-9,16-18,23-25,34-54,111H2,1-7H3,(H2,112,149)(H2,113,150)(H,123,151)(H,124,161)(H,125,160)(H,126,162)(H,127,173)(H,128,152)(H,129,153)(H,130,154)(H,131,155)(H,132,158)(H,133,167)(H,134,169)(H,135,172)(H,136,170)(H,137,171)(H,138,174)(H,139,163)(H,140,164)(H,141,168)(H,142,159)(H,143,166)(H,144,165)(H,156,157)(H,175,176)(H4,114,115,120)(H4,116,117,121)(H4,118,119,122)/t56-,57-,58-,65+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,88-,89-/m0/s1

InChIKey

PHMJESQTBHPHMY-POMMFSKGSA-N

Smiles

[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN/C(=N/[H])/N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN/C(=N/[H])/N)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CS)NC(=O)[C@@H](Cc4ccc(cc4)O)N