Cas no 100364-58-7 (Cyclosporin A,6-[(2E,5R,6R,7S)-6-hydroxy-5-methyl-7-(methylamino)-2-octenedioic acid]-)

Cyclosporin A,6-[(2E,5R,6R,7S)-6-hydroxy-5-methyl-7-(methylamino)-2-octenedioic acid]- structure
100364-58-7 structure
Product Name:Cyclosporin A,6-[(2E,5R,6R,7S)-6-hydroxy-5-methyl-7-(methylamino)-2-octenedioic acid]-
CAS No:100364-58-7
MF:C62H109N11O14
MW:1202.61124
CID:163808
Update Time:2024-03-06

Cyclosporin A,6-[(2E,5R,6R,7S)-6-hydroxy-5-methyl-7-(methylamino)-2-octenedioic acid]- Chemical and Physical Properties

Names and Identifiers

    • Cyclosporin A,6-[(2E,5R,6R,7S)-6-hydroxy-5-methyl-7-(methylamino)-2-octenedioic acid]-
    • 1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane, cyclicpeptide deriv.
    • AM 1A
    • Cyclosporin A metabolite 203-218
    • CyclosporinA, 6-[(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanedioicacid]-
    • M 203-218
    • Cyclosporin A, 6-[(2E,5R,6R,7S)-6-hydroxy-5-methyl-7-(methylamino)-2-octenedioic acid]-
    • Inchi： InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
    • InChI Key： PMATZTZNYRCHOR-CGLBZJNRSA-N
    • SMILES： C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C)O)C

Computed Properties

  • Exact Mass: 1201.84203

Experimental Properties

  • Density: 1.046±0.06 g/cm3(Predicted)
  • Boiling Point: 1348.5±65.0 °C(Predicted)
  • PSA: 278.8
  • pka: 4.69±0.10(Predicted)

Cyclosporin A,6-[(2E,5R,6R,7S)-6-hydroxy-5-methyl-7-(methylamino)-2-octenedioic acid]- Related Literature

100364-58-7 (Cyclosporin A,6-[(2E,5R,6R,7S)-6-hydroxy-5-methyl-7-(methylamino)-2-octenedioic acid]-) Related Products

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