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Substance Name: Insulin (ox), 9A-glycine-
RN: 12393-30-5
InChIKey: RTGXYYOEUPGHEL-MZZIVSOOSA-N

Molecular Formula

  • C253-H375-N65-O74-S6

Molecular Weight

  • 5709.5699
 
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Names and Synonyms

Synonyms

  • EINECS 235-632-8
  • Insulin, ovine

Systematic Name

  • Insulin (ox), 9A-glycine-

Registry Numbers

CAS Registry Number

  • 12393-30-5

System Generated Number

  • 0012393305

Structure Descriptors

InChI

1S/C157H232N40O41S2.C96H149N25O33S4/c1-79(2)57-104(181-130(211)86(15)172-136(217)103(50-53-125(209)210)180-152(233)127(84(11)12)194-148(229)107(60-82(7)8)184-145(226)113(67-95-70-165-78-171-95)189-150(231)115(74-198)176-123(206)73-169-133(214)116(75-239)191-140(221)105(58-80(3)4)182-144(225)112(66-94-69-164-77-170-94)188-138(219)102(48-51-119(160)202)178-146(227)114(68-120(161)203)190-153(234)126(83(9)10)193-131(212)98(159)61-89-31-21-18-22-32-89)139(220)185-110(64-92-40-44-96(200)45-41-92)142(223)183-106(59-81(5)6)147(228)195-128(85(13)14)154(235)192-117(76-240)134(215)168-71-121(204)174-101(49-52-124(207)208)137(218)177-99(38-29-55-166-157(162)163)132(213)167-72-122(205)175-108(62-90-33-23-19-24-34-90)141(222)186-109(63-91-35-25-20-26-36-91)143(224)187-111(65-93-42-46-97(201)47-43-93)149(230)196-129(88(17)199)155(236)197-56-30-39-118(197)151(232)179-100(37-27-28-54-158)135(216)173-87(16)156(237)238;1-12-46(10)77(119-71(129)35-97)95(152)121-76(45(8)9)94(151)107-55(24-28-74(133)134)79(136)104-53(22-26-68(99)126)82(139)115-65(40-157)92(149)117-63(38-155)89(146)103-47(11)78(135)102-36-72(130)120-75(44(6)7)93(150)118-66(41-158)91(148)114-62(37-122)88(145)109-57(30-43(4)5)84(141)110-58(31-48-13-17-50(123)18-14-48)85(142)105-52(21-25-67(98)125)80(137)108-56(29-42(2)3)83(140)106-54(23-27-73(131)132)81(138)112-60(33-69(100)127)87(144)111-59(32-49-15-19-51(124)20-16-49)86(143)116-64(39-156)90(147)113-61(96(153)154)34-70(101)128/h18-26,31-36,40-47,69-70,77-88,98-118,126-129,198-201,239-240H,27-30,37-39,48-68,71-76,158-159H2,1-17H3,(H2,160,202)(H2,161,203)(H,164,170)(H,165,171)(H,167,213)(H,168,215)(H,169,214)(H,172,217)(H,173,216)(H,174,204)(H,175,205)(H,176,206)(H,177,218)(H,178,227)(H,179,232)(H,180,233)(H,181,211)(H,182,225)(H,183,223)(H,184,226)(H,185,220)(H,186,222)(H,187,224)(H,188,219)(H,189,231)(H,190,234)(H,191,221)(H,192,235)(H,193,212)(H,194,229)(H,195,228)(H,196,230)(H,207,208)(H,209,210)(H,237,238)(H4,162,163,166);13-20,42-47,52-66,75-77,122-124,155-158H,12,21-41,97H2,1-11H3,(H2,98,125)(H2,99,126)(H2,100,127)(H2,101,128)(H,102,135)(H,103,146)(H,104,136)(H,105,142)(H,106,140)(H,107,151)(H,108,137)(H,109,145)(H,110,141)(H,111,144)(H,112,138)(H,113,147)(H,114,148)(H,115,139)(H,116,143)(H,117,149)(H,118,150)(H,119,129)(H,120,130)(H,121,152)(H,131,132)(H,133,134)(H,153,154)/t86-,87-,88+,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,126-,127-,128-,129-;46-,47-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,75-,76-,77-/m00/s1

InChIKey

RTGXYYOEUPGHEL-MZZIVSOOSA-N

Smiles

[H]/N=C(\N)/NCCC[C@@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc5ccc(cc5)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc6cnc[nH]6)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc7cnc[nH]7)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc8ccccc8)N.CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)CN