C143H149N13O26S5 — CID 158364903
N-[(2S)-6-amino-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxohexan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[(2R)-6-amino-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxohexan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;3,4-dimethoxy-N-[2-[5-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[5-(dimethylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methoxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide (PubChem CID 158364903) has the molecular formula C143H149N13O26S5 and a molecular weight of 2626.16 g/mol. Its IUPAC name is N-[(2S)-6-amino-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxohexan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[(2R)-6-amino-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxohexan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;3,4-dimethoxy-N-[2-[5-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[5-(dimethylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methoxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide.
| Compound Name | N-[(2S)-6-amino-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxohexan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[(2R)-6-amino-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxohexan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;3,4-dimethoxy-N-[2-[5-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[5-(dimethylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methoxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide |
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| PubChem CID | 158364903 |
| Molecular Formula | C143H149N13O26S5 |
| Molecular Weight | 2626.16 g/mol |
| Exact Mass | 2623.93 |
| IUPAC Name | N-[(2S)-6-amino-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxohexan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[(2R)-6-amino-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxohexan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;3,4-dimethoxy-N-[2-[5-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[5-(dimethylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methoxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide |
| SMILES | COCc1ccc(C(=O)CNC(=O)c2ccc(OCCO)c(OC)c2)nc1-c1csc2c(C)cccc12.COc1cc(C(=O)N[C@@H](CCCCN)C(=O)c2ccc(OC)c(-c3csc4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)N[C@H](CCCCN)C(=O)c2ccc(OC)c(-c3csc4c(C)cccc34)n2)ccc1OCCO.COc1ccc(C(=O)NCC(=O)c2ccc(C)c(-c3csc4c(C)cccc34)n2)cc1OC.COc1ccc(C(=O)NCC(=O)c2ccc(N(C)C)c(-c3csc4c(C)cccc34)n2)cc1OC |
| InChI | InChI=1S/2C31H35N3O6S.C28H28N2O6S.C27H27N3O4S.C26H24N2O4S/c2*1-19-7-6-8-21-22(18-41-30(19)21)28-26(38-2)13-11-24(33-28)29(36)23(9-4-5-14-32)34-31(37)20-10-12-25(40-16-15-35)27(17-20)39-3;1-17-5-4-6-20-21(16-37-27(17)20)26-19(15-34-2)7-9-22(30-26)23(32)14-29-28(33)18-8-10-24(36-12-11-31)25(13-18)35-3;1-16-7-6-8-18-19(15-35-26(16)18)25-21(30(2)3)11-10-20(29-25)22(31)14-28-27(32)17-9-12-23(33-4)24(13-17)34-5;1-15-8-10-20(28-24(15)19-14-33-25-16(2)6-5-7-18(19)25)21(29)13-27-26(30)17-9-11-22(31-3)23(12-17)32-4/h2*6-8,10-13,17-18,23,35H,4-5,9,14-16,32H2,1-3H3,(H,34,37);4-10,13,16,31H,11-12,14-15H2,1-3H3,(H,29,33);6-13,15H,14H2,1-5H3,(H,28,32);5-12,14H,13H2,1-4H3,(H,27,30)/t2*23-;;;/m10.../s1 |
| InChIKey | GTXLZDBCNKHMKH-FBKXPWLNSA-N |
| XLogP | 24.13 |
| TPSA | 531.26 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 187 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2626.16 |
| LogP ≤ 5 | 24.13 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 39 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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