(2R)-2-amino-3-{[(2S)-2-[(1R,3R,7R,10R,11R,14S,23R,24S,26R,31S,32S,33R,34R,35R)-11,34-dihydroxy-11,23,24,35-tetramethyl-16-methylidene-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.1¹,³³.1³,⁷.1⁷,¹⁰.1¹⁰,¹⁴.0²⁰,²⁶.0²⁶,³¹]hentetraconta-20,29-dien-29-yl]-2-h
AlkaPlorer ID: AK044888
Synonym: None
IUPAC Name: (2R)-2-amino-3-[(2S)-2-[(1R,3R,7R,10R,11R,14S,23R,24S,26R,31S,32S,33R,34R,35R)-11,34-dihydroxy-11,23,24,35-tetramethyl-16-methylidene-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026,31]hentetraconta-20,29-dien-29-yl]-2-hydroxyethyl]sulfanylpropanoic acid
Structure
SMILES: C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@H](O)CSC[C@H](N)C(=O)O)=C[C@@H]3[C@@H]2O[C@]3(C[C@H]4CCC[C@@]5(CC[C@@]6(O[C@@H](CC[C@@]6(C)O)C1)O5)O4)C[C@@H](C)[C@@H](O)[C@H]2O3
InChI: InChI=1S/C45H70N2O10S/c1-26-8-6-10-36-42(20-27(2)29(4)23-47-36)15-11-30(35(48)25-58-24-34(46)40(50)51)19-33(42)38-39-37(49)28(3)21-44(55-38,56-39)22-32-9-7-13-43(53-32)16-17-45(57-43)41(5,52)14-12-31(18-26)54-45/h19,27-29,31-35,37-39,48-49,52H,1,6-18,20-25,46H2,2-5H3,(H,50,51)/t27-,28+,29-,31-,32+,33+,34-,35+,37+,38-,39+,41+,42+,43+,44+,45+/m0/s1
InChIKey: USRUBHGWNUYOFR-MFRLBGOMSA-N
Source
Properties Information
Molecule Weight: 831.1259999999999
TPSA？: 182.52
MolLogP？: 6.035500000000008
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 8
Activities Information
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