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Substance Name: L-Valine, 1,1'-((7-amino-2-(2-((4-aminobutyl)amino)-2-oxoethyl)-9,11-dimethyl-8-oxo-8H-oxazolo(4,5-b)phenoxazine-4,6-diyl)dicarbonyl)bis(L-threonyl-D-valyl-L-prolyl-N-methylglycyl-N-methyl-, di-xi-lactone
RN: 113251-43-7
InChIKey: PNJPLFMPOFXFEW-UHFFFAOYSA-N

Molecular Formula

  • C69-H97-N15-O18

Molecular Weight

  • 1424.61
 
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Names and Synonyms

Synonym

  • N,N'-(7-Amino-2-(2-(4-aminobutyl)amino-2-oxoethyl)-9,11-dimethyl-8-oxo-8H-oxazolo(4,5-b)phenoxazine-4,6-diyl)dicarbonylbis(L-threonyl-D-valyl-L-propyl-N-methylglycyl-N-methyl-L-valine) di-xi-lactone

Systematic Name

  • L-Valine, 1,1'-((7-amino-2-(2-((4-aminobutyl)amino)-2-oxoethyl)-9,11-dimethyl-8-oxo-8H-oxazolo(4,5-b)phenoxazine-4,6-diyl)dicarbonyl)bis(L-threonyl-D-valyl-L-prolyl-N-methylglycyl-N-methyl-, di-xi-lactone

Registry Numbers

CAS Registry Number

  • 113251-43-7

System Generated Number

  • 0113251437

Structure Descriptors

InChI

1S/C69H97N15O18/c1-30(2)47-66(95)83-25-19-21-38(83)64(93)79(13)28-42(86)81(15)54(32(5)6)68(97)99-36(11)49(62(91)75-47)77-60(89)44-46(71)56(88)34(9)57-51(44)74-53-45(52-58(35(10)59(53)102-57)101-41(73-52)27-40(85)72-24-18-17-23-70)61(90)78-50-37(12)100-69(98)55(33(7)8)82(16)43(87)29-80(14)65(94)39-22-20-26-84(39)67(96)48(31(3)4)76-63(50)92/h30-33,36-39,47-50,54-55H,17-29,70-71H2,1-16H3,(H,72,85)(H,75,91)(H,76,92)(H,77,89)(H,78,90)

InChIKey

PNJPLFMPOFXFEW-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)CC(NCCCCN)=O)C)C(=O)N[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N2[C@@H](CCC2)C(=O)N(C)CC(N([C@@H](C(C)C)C(=O)O[C@@H]1C)C)=O