N-[(3S,6R,12R,15S,16S,19S,22R)-3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-16-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: AK245065
Synonym: None
IUPAC Name: N-[(3S,6R,12R,15S,16S,19S,22R)-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-16-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(N(C)C)C=C2)N=C(O)[C@H]2CCCN2C1=O
InChI: InChI=1S/C44H52N8O10/c1-5-30-42(59)51-21-10-13-32(51)38(55)47-31(23-26-15-17-28(18-16-26)50(3)4)43(60)52-22-19-29(53)24-33(52)39(56)49-36(27-11-7-6-8-12-27)44(61)62-25(2)35(40(57)46-30)48-41(58)37-34(54)14-9-20-45-37/h6-9,11-12,14-18,20,25,30-33,35-36,54H,5,10,13,19,21-24H2,1-4H3,(H,46,57)(H,47,55)(H,48,58)(H,49,56)/t25-,30+,31-,32+,33+,35-,36-/m0/s1
InChIKey: HESKXMPGUHYWGA-ZVQOTRPXSA-N
Source
Properties Information
Molecule Weight: 852.9459999999997
TPSA？: 250.71
MolLogP？: 4.023500000000003
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 6
Activities Information
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