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Substance Name: 8H-Oxazolo(4,5-b)phenoxazine, L-valline deriv.
RN: 95045-15-1
InChIKey: PFMLYAYVHFDTFM-UHFFFAOYSA-N

Molecular Formula

  • C69-H89-N13-O17

Molecular Weight

  • 1372.54
 
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Names and Synonyms

  • 8H-Oxazolo(4,5-b)phenoxazine, L-valline deriv.

Registry Numbers

CAS Registry Number

  • 95045-15-1

System Generated Number

  • 0095045151

Structure Descriptors

InChI

1S/C69H89N13O17/c1-30(2)46-66(92)81-26-20-24-39(81)64(90)77(13)28-41(83)79(15)53(32(5)6)68(94)96-36(11)48(61(88)72-46)74-59(86)43-45(70)55(85)34(9)56-50(43)71-51-44(52-58(35(10)57(51)98-56)99-63(76-52)38-22-18-17-19-23-38)60(87)75-49-37(12)97-69(95)54(33(7)8)80(16)42(84)29-78(14)65(91)40-25-21-27-82(40)67(93)47(31(3)4)73-62(49)89/h17-19,22-23,30-33,36-37,39-40,46-49,53-54H,20-21,24-29,70H2,1-16H3,(H,72,88)(H,73,89)(H,74,86)(H,75,87)

InChIKey

PFMLYAYVHFDTFM-UHFFFAOYSA-N

Smiles

c1(c2c(c(C)c(c1N)=O)oc1c(c3c(c(c1n2)C(N[C@@H]1C(N[C@@H](C(N2[C@@H](C(N(CC(N([C@@H](C(O[C@@H]1C)=O)C(C)C)C)=O)C)=O)CCC2)=O)C(C)C)=O)=O)nc(o3)c1ccccc1)C)C(=O)N[C@@H]1C(=O)N[C@@H](C(N2[C@@H](C(=O)N(C)CC(N([C@@H](C(C)C)C(=O)O[C@@H]1C)C)=O)CCC2)=O)C(C)C