Microperoxidase (Mp-11) Sodium Salt
[CAS# 104870-94-2]

Identification

• Name: Microperoxidase (Mp-11) Sodium Salt
• Synonyms: MICROPEROXIDASE SODIUMSALT
• Molecular Formula: C₈₀H₁₁₀FeN₂₄Na₂O₂₁S₄
• Molecular Weight: 1973.96
• CAS Registry Number: 104870-94-2
• SMILES: Cc\1c(/c/2n/c3n/c(n\c4c(c5c/6n4[Fe]n2/c1n\c7n/c(n6)/C(=C7C(SSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC5C)C(=O)N[C@@H](Cc8c[nH]cn8)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCC(=O)N)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)N)C)C)C)/C(=C3CCC(=O)[O-])C)CCC(=O)[O-].[Na+].[Na+]
• InChI: 1S/C80H114N24O21S4.Fe.2Na/c1-32(2)59(84)77(121)90-47(19-22-53(83)107)72(116)89-45(15-13-14-26-81)71(115)93-50-29-126-128-41(12)58-37(8)65-102-68(58)100-63-35(6)44(17-24-55(110)111)67(99-63)104-66-43(16-23-54(108)109)34(5)62(98-66)97-64-36(7)57(69(101-64)103-65)40(11)129-127-30-51(94-73(117)46(18-21-52(82)106)88-70(114)38(9)87-75(50)119)76(120)92-49(27-42-28-85-31-86-42)74(118)96-61(39(10)105)79(123)95-60(33(3)4)78(122)91-48(80(124)125)20-25-56(112)113;;;/h28,31-33,38-41,45-51,59-61,105H,13-27,29-30,81,84H2,1-12H3,(H21,82,83,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125);;;/q;+2;2*+1/p-4/t38-,39+,40?,41?,45-,46-,47-,48-,49-,50-,51-,59-,60-,61-;;;/m0.../s1
• InChIKey: OPJSJRDQKHMMIT-HHNHJQSGSA-J

Properties

• Refractive index: (Cal.)