Maytansine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 73
Total Number of Articles : 228
PubChem 169544602
Molecular Formula

C34H46ClN3O10

SMILES

CC1C2C[C@](C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC([C@@]4(C1O4)C)OC(=O)C(C)N(C)C(=O)C)C)C)OC)(NC(=O)O2)O

InChI

InChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/t19?,20?,25?,26?,27?,30?,33-,34+/m1/s1

synonyms
  • MAYTANSINE
  • 35846-53-8
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Properties
Property Value
MW 692.2 g/mol
HBD 2
HBA 10
Rotatable Bond Count 6
Exact Mass 691.2871724 g/mol
Monoisotopic Mass 691.2871724 g/mol
Heavy Atom Count 48
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 1300
xlogp 2
Topological Polar Surface Area 157