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Substance Name: Deacetyl salmon endorphin
RN: 74893-30-4
InChIKey: IYEZYARISDJHIW-XHKVZSPESA-N

Note

  • Contains 29 amino acid residues.

Molecular Formula

  • C158-H253-N41-O41-S

Molecular Weight

  • 3415.0487
 
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Names and Synonyms

Name of Substance

  • Deacetyl salmon endorphin

Synonym

  • Desacetyl salmon endorphin I

Systematic Name

  • Endophin I (Oncorhynchus keta), N-deacetyl-

Registry Numbers

CAS Registry Number

  • 74893-30-4

System Generated Number

  • 0074893304

Structure Descriptors

InChI

1S/C158H253N41O41S/c1-17-87(11)127(151(232)196-131(91(15)203)155(236)191-111(68-85(7)8)141(222)184-109(66-83(3)4)139(220)175-100(36-22-27-58-159)134(215)185-116(74-96-77-169-82-173-96)147(228)194-128(88(12)18-2)152(233)197-130(90(14)202)154(235)190-110(67-84(5)6)140(221)176-101(37-23-28-59-160)135(216)187-117(75-123(167)208)144(225)178-104(53-56-126(211)212)136(217)183-108(158(239)240)52-55-122(166)207)193-145(226)112(69-86(9)10)188-149(230)119-41-32-63-198(119)157(238)107(40-26-31-62-163)182-143(224)115(73-95-76-168-81-172-95)186-148(229)118(80-200)192-137(218)103(51-54-121(165)206)177-133(214)102(38-24-29-60-161)180-153(234)129(89(13)201)195-146(227)114(72-94-45-49-98(205)50-46-94)189-150(231)120-42-33-64-199(120)156(237)106(39-25-30-61-162)181-138(219)105(57-65-241-16)179-142(223)113(71-92-34-20-19-21-35-92)174-125(210)79-170-124(209)78-171-132(213)99(164)70-93-43-47-97(204)48-44-93/h19-21,34-35,43-50,76-77,81-91,99-120,127-131,200-205H,17-18,22-33,36-42,51-75,78-80,159-164H2,1-16H3,(H2,165,206)(H2,166,207)(H2,167,208)(H,168,172)(H,169,173)(H,170,209)(H,171,213)(H,174,210)(H,175,220)(H,176,221)(H,177,214)(H,178,225)(H,179,223)(H,180,234)(H,181,219)(H,182,224)(H,183,217)(H,184,222)(H,185,215)(H,186,229)(H,187,216)(H,188,230)(H,189,231)(H,190,235)(H,191,236)(H,192,218)(H,193,226)(H,194,228)(H,195,227)(H,196,232)(H,197,233)(H,211,212)(H,239,240)/t87-,88-,89+,90+,91+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,127-,128-,129-,130-,131-/m0/s1

InChIKey

IYEZYARISDJHIW-XHKVZSPESA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc5ccccc5)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc6ccc(O)cc6)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc7cnc[nH]7)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)O