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Stephanotic Acid
FEATURES
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NAMES
  • STEPHANOTIC ACID
SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](C(C)C)c2ccc3c(c[nH]c3c2)C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC1=O
InChI
InChI=1S/C33H46N6O7/c1-7-17(6)27-31(43)37-26(16(4)5)30(42)36-23(33(45)46)13-19-14-34-22-12-18(8-9-20(19)22)25(15(2)3)28(32(44)38-27)39-29(41)21-10-11-24(40)35-21/h8-9,12,14-17,21,23,25-28,34H,7,10-11,13H2,1-6H3,(H,35,40)(H,36,42)(H,37,43)(H,38,44)(H,39,41)(H,45,46)/t17-,21-,23-,25-,26-,27-,28-/m0/s1
MOLECULAR FORMULA
C33H46N6O7
CROSS REFERENCES
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Stephanotic Acid

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 638.34
AlogP 1.47
HBond donors 7
HBond acceptors 13
Atoms 92
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Stephanotic Acid.