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Substance Name: Actinocylbis(threonyl-D-valyl-4'-oxoproline methyl ester
RN: 66682-49-3
InChIKey: TZAMSDFDCWHDLI-UHFFFAOYSA-N

Molecular Formula

  • C46-H58-N8-O16

Molecular Weight

  • 979.004
 
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Names and Synonyms

Results Name

  • Actinocylbis(threonyl-D-valyl-4'-oxoproline methyl ester

Synonym

  • Actinocylbis(threonyl-D-valyl-4'-oxoproline methyl ester

Systematic Name

  • L-Proline, 1-(N-(N-((2-amino-9-(((2-hydroxy-1-(((1-((2-(methoxycarbonyl)-4-oxo-1-pyrrolidinyl)carbonyl)-2-methylpropyl)amino)carbonyl)propyl)amino)carbonyl)-4,6-dimethyl-3-oxo-3H-phenoxazin-1-yl)carbonyl)-L-threonyl)-D-valyl)-4-oxo-, methyl ester, stereoisomer

Registry Numbers

CAS Registry Number

  • 66682-49-3

System Generated Number

  • 0066682493

Structure Descriptors

InChI

1S/C46H58N8O16/c1-17(2)29(43(64)53-14-13-26(58)35(53)46(67)69-10)49-42(63)32(22(8)56)52-40(61)27-28(47)36(59)20(6)38-34(27)48-33-24(12-11-19(5)37(33)70-38)39(60)51-31(21(7)55)41(62)50-30(18(3)4)44(65)54-16-23(57)15-25(54)45(66)68-9/h11-12,17-18,21-22,25,29-32,35,55-56H,13-16,47H2,1-10H3,(H,49,63)(H,50,62)(H,51,60)(H,52,61)

InChIKey

TZAMSDFDCWHDLI-UHFFFAOYSA-N

Smiles

c1(c(c(c2oc3c(c(C(N[C@@H](C(N[C@@H](C(N4[C@@H](C(OC)=O)CC(C4)=O)=O)C(C)C)=O)[C@@H](C)O)=O)ccc3C)nc2c1C(N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(=O)N1[C@@H](C(OC)=O)C(CC1)=O)C(C)C)=O)C)=O)N