Plantaricin D

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4
Total Number of Articles : 1
PubChem 139586697
Molecular Formula

C40H71N11O13S

SMILES

CCC(C)C(C=O)NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)CNC(=O)C(CCSC)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(C)N

InChI

InChI=1S/C40H71N11O13S/c1-10-20(4)28(17-52)49-34(58)23(7)45-40(64)32(24(8)54)51-35(59)22(6)44-31(56)16-43-36(60)26(13-14-65-9)47-37(61)25(11-12-30(42)55)46-38(62)27(15-19(2)3)48-39(63)29(18-53)50-33(57)21(5)41/h17,19-29,32,53-54H,10-16,18,41H2,1-9H3,(H2,42,55)(H,43,60)(H,44,56)(H,45,64)(H,46,62)(H,47,61)(H,48,63)(H,49,58)(H,50,57)(H,51,59)

synonyms
  • Plantaricin D
  • CHEBI:226765
  • 2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[2-[[1-[[3-hydroxy-1-[[1-[(3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulanyl-1-oxobutan-2-yl]pentanediamide
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Properties
Property Value
MW 946.1 g/mol
HBD 13
HBA 15
Rotatable Bond Count 31
Exact Mass 945.49535254 g/mol
Monoisotopic Mass 945.49535254 g/mol
Heavy Atom Count 65
Isotope Atom Count 0
Atom Stereo Count 11
Covalent Unit Count 1
Complexity 1660
xlogp -3
Topological Polar Surface Area 414