Plantaricin W

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 1
PubChem 139586573
Molecular Formula

C75H131N25O21S

SMILES

CCC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C=O)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)C(CCSC)N

InChI

InChI=1S/C75H131N25O21S/c1-10-38(4)57(71(119)88-39(5)60(108)94-53(34-56(80)107)69(117)95-51(32-43-21-23-45(105)24-22-43)68(116)89-44(35-101)31-37(2)3)98-61(109)40(6)87-67(115)52(33-55(79)106)96-65(113)47(17-11-13-26-76)90-63(111)49(19-15-28-85-74(81)82)91-64(112)50(20-16-29-86-75(83)84)92-70(118)54(36-102)97-73(121)59(42(8)104)100-66(114)48(18-12-14-27-77)93-72(120)58(41(7)103)99-62(110)46(78)25-30-122-9/h21-24,35,37-42,44,46-54,57-59,102-105H,10-20,25-34,36,76-78H2,1-9H3,(H2,79,106)(H2,80,107)(H,87,115)(H,88,119)(H,89,116)(H,90,111)(H,91,112)(H,92,118)(H,93,120)(H,94,108)(H,95,117)(H,96,113)(H,97,121)(H,98,109)(H,99,110)(H,100,114)(H4,81,82,85)(H4,83,84,86)

synonyms
  • Plantaricin W
  • CHEBI:224729
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Properties
Property Value
MW 1751.1 g/mol
HBD 27
HBA 27
Rotatable Bond Count 61
Exact Mass 1749.96720746 g/mol
Monoisotopic Mass 1749.96720746 g/mol
Heavy Atom Count 122
Isotope Atom Count 0
Atom Stereo Count 18
Covalent Unit Count 1
Complexity 3480
xlogp -8
Topological Polar Surface Area 824