Myroridin mixture

Molecular Formula: C₈₂H₁₄₈N₃₄O₂₃

InChI: InChI=1/C41H74N18O12.C41H74N16O11/c1-20(60)31(59-34(66)27(7-3-13-43)54-35(67)28(16-23(62)18-52-40(47)48)56-32(64)25(44)5-4-14-51-39(45)46)37(69)55-26(6-2-12-42)33(65)57-29(17-24(63)19-53-41(49)50)36(68)58-30(38(70)71)15-21-8-10-22(61)11-9-21;1-22(58)32(57-36(64)29(10-5-17-44)53-37(65)30(20-25(60)21-51-41(48)49)55-33(61)26(45)7-6-18-50-40(46)47)38(66)54-28(9-4-16-43)34(62)52-27(8-2-3-15-42)35(63)56-31(39(67)68)19-23-11-13-24(59)14-12-23/h8-11,20,23-31,60-63H,2-7,12-19,42-44H2,1H3,(H,54,67)(H,55,69)(H,56,64)(H,57,65)(H,58,68)(H,59,66)(H,70,71)(H4,45,46,51)(H4,47,48,52)(H4,49,50,53);11-14,22,25-32,58-60H,2-10,15-21,42-45H2,1H3,(H,52,62)(H,53,65)(H,54,66)(H,55,61)(H,56,63)(H,57,64)(H,67,68)(H4,46,47,50)(H4,48,49,51)/f/h54-59,70H,45-50H2;52-57,67H,46-49H2

InChIKey: InChIKey=QIIRDPPMTYHRKY-XOWNRCIGCX
SMILES: CC(C(C(=O)NC(CCCN)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CCCN)NC(=O)C(CC(CN=C(N)N)O)NC(=O)C(CCCN=C(N)N)N)O.CC(C(C(=O)NC(CCCN)C(=O)NC(CC(CN=C(N)N)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CCCN)NC(=O)C(CC(CN=C(N)N)O)NC(=O)C(CCCN=C(N)N)N)O

Names:
    Myroridin mixture
    NSC619229
    2-[[6-amino-2-[[5-amino-2-[[2-[[5-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)-4-hydroxy-pentanoyl]amino]pentanoyl]amino]-3-hydroxy-butanoyl]amino]pentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid; 2-[[2-[[5-amino-2-[[2-[[5-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)-4-hydroxy-pentanoyl]amino]pentanoyl]amino]-3-hydroxy-butanoyl]amino]pentanoyl]amino]-5-(diaminomethylideneamino)-4-hydroxy-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Registries:
    PubChem CID 11979591
    PubChem ID 8142039