2-hydroxy-4-[2-({[(7E)-1-hydroxy-1,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ylidene]amino}oxy)acetamido]-3,3-dimethylbutanoic acid
AlkaPlorer ID: AK166928
Synonym: None
IUPAC Name: (2S)-2-hydroxy-4-[[2-[(Z)-[(8S,9R,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ylidene]amino]oxyacetyl]amino]-3,3-dimethylbutanoic acid
Structure
SMILES: CC(C)(CNC(=O)CO/N=C1\C=C[C@@]2(C)C(=C1)CC[C@H]1[C@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O)[C@H](O)C(=O)O
InChI: InChI=1S/C28H42N2O6/c1-25(2,23(32)24(33)34)16-29-22(31)15-36-30-18-8-11-26(3)17(14-18)6-7-19-20(26)9-12-27(4)21(19)10-13-28(27,5)35/h8,11,14,19-21,23,32,35H,6-7,9-10,12-13,15-16H2,1-5H3,(H,29,31)(H,33,34)/b30-18+/t19-,20+,21-,23+,26-,27-,28-/m0/s1
InChIKey: XZFSKAUTOQNPFT-IALKUZGDSA-N
Source
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Properties Information
Molecule Weight: 502.6520000000004
TPSA？: 128.45
MolLogP？: 3.4367000000000023
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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