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Substance Name: L-Valine, L-threonyl-D-valyl-L-prolyl-N-methylglycyl-N-methyl-,xi-lactone, 1,1'-diamide with 4-methyl-1,9-phenazinedicarboxylic acid10,5,5
RN: 71065-59-3
InChIKey: XFMXNUNTAUJYSM-UHFFFAOYSA-N

Molecular Formula

  • C61-H84-N12-O14

Molecular Weight

  • 1209.4
 
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Names and Synonyms

  • L-Valine, L-threonyl-D-valyl-L-prolyl-N-methylglycyl-N-methyl-,xi-lactone, 1,1'-diamide with 4-methyl-1,9-phenazinedicarboxylic acid10,5,5

Registry Numbers

CAS Registry Number

  • 71065-59-3

System Generated Number

  • 0071065593

Structure Descriptors

InChI

1S/C61H84N12O14/c1-29(2)43-58(82)72-25-17-21-39(72)56(80)68(12)27-41(74)70(14)50(31(5)6)60(84)86-34(10)46(54(78)64-43)66-52(76)36-19-16-20-38-48(36)63-49-37(24-23-33(9)45(49)62-38)53(77)67-47-35(11)87-61(85)51(32(7)8)71(15)42(75)28-69(13)57(81)40-22-18-26-73(40)59(83)44(30(3)4)65-55(47)79/h16,19-20,23-24,29-32,34-35,39-40,43-44,46-47,50-51H,17-18,21-22,25-28H2,1-15H3,(H,64,78)(H,65,79)(H,66,76)(H,67,77)

InChIKey

XFMXNUNTAUJYSM-UHFFFAOYSA-N

Smiles

c1(c2c(ccc1)nc1c(ccc(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)C)C(=O)N[C@@H]1C(=O)N[C@@H](C(N2[C@@H](C(N(C)CC(N([C@@H](C(C)C)C(=O)O[C@@H]1C)C)=O)=O)CCC2)=O)C(C)C