N-[(3S,6R,12S,15S,16S,19R,22R)-12-ethyl-4,16-dimethyl-3-{[4-(methylamino)phenyl]methyl}-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.0⁶,¹⁰]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide
AlkaPlorer ID: AK034553
Synonym: None
IUPAC Name: N-[(3S,6R,12S,15S,16S,19R,22R)-12-ethyl-4,16-dimethyl-3-[[4-(methylamino)phenyl]methyl]-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide
Structure
SMILES: CC[C@@H]1N=C(O)[C@@H](N=C(O)C2=C(O)C=CC=N2)[C@H](C)OC(=O)[C@@H](C2=CC=CC=C2)N=C(O)[C@H]2CC(=O)CCN2C(=O)[C@H](CC2=CC=C(NC)C=C2)N(C)C(=O)[C@H]2CCCN2C1=O
InChI: InChI=1S/C44H52N8O10/c1-5-30-41(58)51-21-10-13-31(51)42(59)50(4)33(23-26-15-17-28(45-3)18-16-26)43(60)52-22-19-29(53)24-32(52)38(55)49-36(27-11-7-6-8-12-27)44(61)62-25(2)35(39(56)47-30)48-40(57)37-34(54)14-9-20-46-37/h6-9,11-12,14-18,20,25,30-33,35-36,45,54H,5,10,13,19,21-24H2,1-4H3,(H,47,56)(H,48,57)(H,49,55)/t25-,30-,31+,32+,33-,35-,36+/m0/s1
InChIKey: PCOXSOQWQVRJCH-ZRLVXKIISA-N
Source
Properties Information
Molecule Weight: 852.9459999999997
TPSA？: 247.22000000000003
MolLogP？: 3.5011000000000028
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 6
Activities Information
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