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Substance Name: beta-Endorphin, tyr(31)
RN: 82284-46-6
InChIKey: ZVGMJKNJHNPTTD-ZUWCCAPWSA-N

Molecular Formula

  • C162-H253-N39-O45-S

Molecular Weight

  • 3499.0747
 
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Names and Synonyms

Name of Substance

  • beta-Endorphin, tyr(31)

Synonyms

  • 27-L-Tyrosine-31-L-tyrosine-beta-Endorphin (sheep)
  • 31-Tyrosyl-beta-endorphin
  • Tyr(31)-beta-endorphin
  • Tyrosine-31beta-endorphin

Systematic Name

  • beta-Endorphin (sheep), 27-L-tyrosine-31-L-tyrosine-

Registry Numbers

CAS Registry Number

  • 82284-46-6

System Generated Number

  • 0082284466

Structure Descriptors

InChI

1S/C162H253N39O45S/c1-17-87(9)130(157(240)186-107(44-29-34-67-167)141(224)190-116(77-123(170)211)146(229)175-89(11)135(218)187-114(75-97-48-54-100(208)55-49-97)150(233)181-104(41-26-31-64-164)139(222)179-103(40-25-30-63-163)138(221)174-81-127(215)178-118(162(245)246)76-98-50-56-101(209)57-51-98)197-158(241)131(88(10)18-2)196-136(219)90(12)176-147(230)117(78-124(171)212)189-140(223)105(42-27-32-65-165)182-151(234)115(74-95-38-23-20-24-39-95)188-148(231)111(70-84(3)4)192-159(242)133(92(14)205)199-156(239)129(86(7)8)195-152(235)112(71-85(5)6)191-155(238)121-45-35-68-201(121)161(244)134(93(15)206)200-144(227)108(58-60-122(169)210)183-153(236)119(82-202)193-142(225)106(43-28-33-66-166)180-143(226)109(59-61-128(216)217)184-154(237)120(83-203)194-160(243)132(91(13)204)198-145(228)110(62-69-247-16)185-149(232)113(73-94-36-21-19-22-37-94)177-126(214)80-172-125(213)79-173-137(220)102(168)72-96-46-52-99(207)53-47-96/h19-24,36-39,46-57,84-93,102-121,129-134,202-209H,17-18,25-35,40-45,58-83,163-168H2,1-16H3,(H2,169,210)(H2,170,211)(H2,171,212)(H,172,213)(H,173,220)(H,174,221)(H,175,229)(H,176,230)(H,177,214)(H,178,215)(H,179,222)(H,180,226)(H,181,233)(H,182,234)(H,183,236)(H,184,237)(H,185,232)(H,186,240)(H,187,218)(H,188,231)(H,189,223)(H,190,224)(H,191,238)(H,192,242)(H,193,225)(H,194,243)(H,195,235)(H,196,219)(H,197,241)(H,198,228)(H,199,239)(H,200,227)(H,216,217)(H,245,246)/t87-,88-,89-,90-,91+,92+,93+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,129-,130-,131-,132-,133-,134-/m0/s1

InChIKey

ZVGMJKNJHNPTTD-ZUWCCAPWSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc4ccc(O)cc4)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc6ccc(O)cc6)C(=O)O