Chemical Component Summary

NameCystargolide B- bound form
Identifiers(2~{S},3~{R})-4-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-propan-2-yl-butanoic acid
FormulaC17 H30 N2 O7
Molecular Weight374.429
TypeNON-POLYMER
Isomeric SMILESCC(C)[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)O)C(=O)O
InChIInChI=1S/C17H30N2O7/c1-7(2)10(16(23)24)13(20)15(22)18-11(8(3)4)14(21)19-12(9(5)6)17(25)26/h7-13,20H,1-6H3,(H,18,22)(H,19,21)(H,23,24)(H,25,26)/t10-,11-,12-,13+/m0/s1
InChIKeyAEDSWBBILSEDHQ-ZDEQEGDKSA-N

Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count4
Bond Count55
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 134814261