Aspartocin I sodium salt
Molecular Formula:
C60H94N13NaO20
InChI: InChI=1/C60H95N13O20.Na/c1-8-32(4)20-15-13-11-9-10-12-14-16-23-41(74)65-38(28-46(81)82)53(85)71-50-35(7)64-54(86)40-22-19-25-73(40)58(90)47(31(2)3)69-57(89)49(34(6)61)68-43(76)30-63-51(83)36(26-44(77)78)66-42(75)29-62-52(84)37(27-45(79)80)67-56(88)48(33(5)60(92)93)70-55(87)39-21-17-18-24-72(39)59(50)91;/h14,16,31-40,47-50H,8-13,15,17-30,61H2,1-7H3,(H,62,84)(H,63,83)(H,64,86)(H,65,74)(H,66,75)(H,67,88)(H,68,76)(H,69,89)(H,70,87)(H,71,85)(H,77,78)(H,79,80)(H,81,82)(H,92,93);/q;+1/p-1/b16-14-;/fC60H94N13O20.Na/h62-71,77,79,92H;/q-1;m
InChIKey: InChIKey=NPVGWZPIDFABBX-SWTIYMFWDM
SMILES: CCC(C)CCCCCCCC=CCC(=O)NC(CC(=O)[O-])C(=O)NC1C(NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C3CCCCN3C1=O)C(C)C(=O)O)CC(=O)O)CC(=O)O)C(C)N)C(C)C)C.[Na+]
Names:
Aspartocin I sodium salt
NSC149828
302327-46-4
Registries:
PubChem CID 5458315
PubChem ID 8140319
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