N-[(3S,8S,14R,17R,18R,21R,24S)-3-{[4-(dimethylamino)phenyl]methyl}-14-ethyl-6,18-dimethyl-2,7,13,16,20,23,26-heptaoxo-21-phenyl-19-oxa-1,6,12,15,22-pentaazatricyclo[22.4.0.0⁸,¹²]octacosan-17-yl]-3-hydroxypyridine-2-carboxamide
AlkaPlorer ID: AK089353
Synonym: None
IUPAC Name: N-[(3S,8S,14R,17R,18R,21R,24S)-3-[[4-(dimethylamino)phenyl]methyl]-14-ethyl-6,18-dimethyl-2,7,13,16,20,23,26-heptaoxo-21-phenyl-19-oxa-1,6,12,15,22-pentazatricyclo[22.4.0.08,12]octacosan-17-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)CCN(C)C(=O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C47H58N8O10/c1-6-34-45(62)54-23-11-14-35(54)46(63)53(5)24-20-31(26-29-16-18-32(19-17-29)52(3)4)44(61)55-25-21-33(56)27-36(55)41(58)51-39(30-12-8-7-9-13-30)47(64)65-28(2)38(42(59)49-34)50-43(60)40-37(57)15-10-22-48-40/h7-10,12-13,15-19,22,28,31,34-36,38-39,57H,6,11,14,20-21,23-27H2,1-5H3,(H,49,59)(H,50,60)(H,51,58)/t28-,31-,34-,35+,36+,38-,39-/m1/s1
InChIKey: RLNUPSVMIYRZSM-UZJULLFFSA-N
Source
Properties Information
Molecule Weight: 895.0269999999995
TPSA？: 238.43000000000004
MolLogP？: 4.1631000000000045
Number of H-Donors: 4
Number of H-Acceptors: 12
RingCount: 6
Activities Information
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