7-aminoactinomycin D

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 50
Total Number of Articles : 60
PubChem 92131456
Molecular Formula

C62H87N13O16

SMILES

CC1C(C(=O)NC(C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=CC(=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)[C@H]7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)N

InChI

InChI=1S/C62H87N13O16/c1-26(2)42-59(85)74-21-17-19-36(74)57(83)70(13)24-38(76)72(15)48(28(5)6)61(87)89-32(11)44(55(81)66-42)68-53(79)34-23-35(63)30(9)51-46(34)65-47-40(41(64)50(78)31(10)52(47)91-51)54(80)69-45-33(12)90-62(88)49(29(7)8)73(16)39(77)25-71(14)58(84)37-20-18-22-75(37)60(86)43(27(3)4)67-56(45)82/h23,26-29,32-33,36-37,42-45,48-49H,17-22,24-25,63-64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)/t32?,33?,36-,37+,42?,43?,44?,45?,48?,49?/m0/s1

synonyms
  • 7-Aminoactinomycin D
  • J-100016
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Properties
Property Value
MW 1270.4 g/mol
HBD 6
HBA 19
Rotatable Bond Count 8
Exact Mass 1269.63937374 g/mol
Monoisotopic Mass 1269.63937374 g/mol
Heavy Atom Count 91
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 3070
xlogp 3.1
Topological Polar Surface Area 382