Cas no 59112-80-0 (C-Peptide (Proinsulin))

C-Peptide (Proinsulin) structure
C-Peptide (Proinsulin) structure
Product Name:C-Peptide (Proinsulin)
CAS No:59112-80-0
MF:C112H179N35O46
MW:2751.82658600807
CID:2682697
Update Time:2023-11-22

C-Peptide (Proinsulin) Chemical and Physical Properties

Names and Identifiers

    • Proinsulin C-peptide
    • Human c-peptide
    • C-Peptide (Proinsulin)
    • Inchi: 1S/C112H179N35O46/c1-51(2)32-66(144-104(184)63(21-29-92(170)171)137-85(161)46-127-99(179)59(16-23-72(114)148)134-87(163)49-131-111(191)95(55(9)10)146-106(186)62(18-25-74(116)150)135-86(162)47-129-103(183)70(36-94(174)175)145-105(185)64(22-30-93(172)173)136-84(160)45-124-98(178)58(113)15-27-90(166)167)102(182)126-41-80(156)119-38-77(153)122-50-89(165)147-31-13-14-71(147)110(190)130-44-81(157)132-56(11)96(176)123-39-78(154)121-43-83(159)140-68(34-53(5)6)108(188)141-60(17-24-73(115)149)100(180)128-48-88(164)139-67(33-52(3)4)107(187)133-57(12)97(177)143-69(35-54(7)8)109(189)142-61(20-28-91(168)169)101(181)125-40-79(155)118-37-76(152)120-42-82(158)138-65(112(192)193)19-26-75(117)151/h51-71,95H,13-50,113H2,1-12H3,(H2,114,148)(H2,115,149)(H2,116,150)(H2,117,151)(H,118,155)(H,119,156)(H,120,152)(H,121,154)(H,122,153)(H,123,176)(H,124,178)(H,125,181)(H,126,182)(H,127,179)(H,128,180)(H,129,183)(H,130,190)(H,131,191)(H,132,157)(H,133,187)(H,134,163)(H,135,162)(H,136,160)(H,137,161)(H,138,158)(H,139,164)(H,140,159)(H,141,188)(H,142,189)(H,143,177)(H,144,184)(H,145,185)(H,146,186)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H,174,175)(H,192,193)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,95-/m0/s1
    • InChI Key: XTUNIGNWBZZIPT-NTMYLOQBSA-N
    • SMILES: O=C([C@@H]1CCCN1C(CNC(CNC(CNC([C@H](CC(C)C)NC([C@H](CCC(=O)O)NC(CNC([C@H](CCC(N)=O)NC(CNC([C@H](C(C)C)NC([C@H](CCC(N)=O)NC(CNC([C@H](CC(=O)O)NC([C@H](CCC(=O)O)NC(CNC([C@H](CCC(=O)O)N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)NCC(N[C@H](C(NCC(NCC(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@@H](C)C(N[C@H](C(N[C@H](C(NCC(NCC(NCC(N[C@H](C(=O)O)CCC(N)=O)=O)=O)=O)=O)CCC(=O)O)=O)CC(C)C)=O)=O)CC(C)C)=O)=O)CCC(N)=O)=O)CC(C)C)=O)=O)=O)C)=O

Computed Properties

  • Exact Mass: 2751.277698
  • Monoisotopic Mass: 2750.274344
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 40
  • Hydrogen Bond Acceptor Count: 47
  • Heavy Atom Count: 193
  • Rotatable Bond Count: 95
  • Complexity: 6530
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 17
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 1290

C-Peptide (Proinsulin) Pricemore >>

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