C155H204N14O28S — CID 159563569
(2S)-N-[(2S)-5-(1H-indol-4-yl)-3-oxopentan-2-yl]-2-(2-oxo-4-phenylbutyl)butanediamide;(2S)-N-[(2S)-1-methoxy-5-naphthalen-1-yl-3-oxopentan-2-yl]-2-(2-oxo-4-phenylbutyl)butanediamide;(2S)-2-[(4-methylphenyl)sulfonylmethyl]-N-[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]butanediamide;pentakis(2-methylpropan-2-ol);(2S)-2-(3-morpholin-4-yl-2-oxopropyl)-N-[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]butanediamide;(2S)-N-[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]-2-(2-oxo-2-pyrazin-2-ylethyl)butanediamide (PubChem CID 159563569) has the molecular formula C155H204N14O28S and a molecular weight of 2743.47 g/mol. Its IUPAC name is (2S)-N-[(2S)-5-(1H-indol-4-yl)-3-oxopentan-2-yl]-2-(2-oxo-4-phenylbutyl)butanediamide;(2S)-N-[(2S)-1-methoxy-5-naphthalen-1-yl-3-oxopentan-2-yl]-2-(2-oxo-4-phenylbutyl)butanediamide;(2S)-2-[(4-methylphenyl)sulfonylmethyl]-N-[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]butanediamide;pentakis(2-methylpropan-2-ol);(2S)-2-(3-morpholin-4-yl-2-oxopropyl)-N-[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]butanediamide;(2S)-N-[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]-2-(2-oxo-2-pyrazin-2-ylethyl)butanediamide.
| Compound Name | (2S)-N-[(2S)-5-(1H-indol-4-yl)-3-oxopentan-2-yl]-2-(2-oxo-4-phenylbutyl)butanediamide;(2S)-N-[(2S)-1-methoxy-5-naphthalen-1-yl-3-oxopentan-2-yl]-2-(2-oxo-4-phenylbutyl)butanediamide;(2S)-2-[(4-methylphenyl)sulfonylmethyl]-N-[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]butanediamide;pentakis(2-methylpropan-2-ol);(2S)-2-(3-morpholin-4-yl-2-oxopropyl)-N-[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]butanediamide;(2S)-N-[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]-2-(2-oxo-2-pyrazin-2-ylethyl)butanediamide |
|---|---|
| PubChem CID | 159563569 |
| Molecular Formula | C155H204N14O28S |
| Molecular Weight | 2743.47 g/mol |
| Exact Mass | 2741.47 |
| IUPAC Name | (2S)-N-[(2S)-5-(1H-indol-4-yl)-3-oxopentan-2-yl]-2-(2-oxo-4-phenylbutyl)butanediamide;(2S)-N-[(2S)-1-methoxy-5-naphthalen-1-yl-3-oxopentan-2-yl]-2-(2-oxo-4-phenylbutyl)butanediamide;(2S)-2-[(4-methylphenyl)sulfonylmethyl]-N-[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]butanediamide;pentakis(2-methylpropan-2-ol);(2S)-2-(3-morpholin-4-yl-2-oxopropyl)-N-[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]butanediamide;(2S)-N-[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]-2-(2-oxo-2-pyrazin-2-ylethyl)butanediamide |
| SMILES | CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.COC[C@H](NC(=O)[C@H](CC(N)=O)CC(=O)CCc1ccccc1)C(=O)CCc1cccc2ccccc12.C[C@H](NC(=O)[C@H](CC(N)=O)CC(=O)CCc1ccccc1)C(=O)CCc1cccc2[nH]ccc12.C[C@H](NC(=O)[C@H](CC(N)=O)CC(=O)CN1CCOCC1)C(=O)CCc1cccc2ccccc12.C[C@H](NC(=O)[C@H](CC(N)=O)CC(=O)c1cnccn1)C(=O)CCc1cccc2ccccc12.Cc1ccc(S(=O)(=O)C[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)CCc2cccc3ccccc23)cc1 |
| InChI | InChI=1S/C30H34N2O5.C27H31N3O4.C27H30N2O5S.C26H33N3O5.C25H26N4O4.5C4H10O/c1-37-20-27(28(34)17-15-23-12-7-11-22-10-5-6-13-26(22)23)32-30(36)24(19-29(31)35)18-25(33)16-14-21-8-3-2-4-9-21;1-18(25(32)13-11-20-8-5-9-24-23(20)14-15-29-24)30-27(34)21(17-26(28)33)16-22(31)12-10-19-6-3-2-4-7-19;1-18-10-13-23(14-11-18)35(33,34)17-22(16-26(28)31)27(32)29-19(2)25(30)15-12-21-8-5-7-20-6-3-4-9-24(20)21;1-18(24(31)10-9-20-7-4-6-19-5-2-3-8-23(19)20)28-26(33)21(16-25(27)32)15-22(30)17-29-11-13-34-14-12-29;1-16(22(30)10-9-18-7-4-6-17-5-2-3-8-20(17)18)29-25(33)19(14-24(26)32)13-23(31)21-15-27-11-12-28-21;5*1-4(2,3)5/h2-13,24,27H,14-20H2,1H3,(H2,31,35)(H,32,36);2-9,14-15,18,21,29H,10-13,16-17H2,1H3,(H2,28,33)(H,30,34);3-11,13-14,19,22H,12,15-17H2,1-2H3,(H2,28,31)(H,29,32);2-8,18,21H,9-17H2,1H3,(H2,27,32)(H,28,33);2-8,11-12,15-16,19H,9-10,13-14H2,1H3,(H2,26,32)(H,29,33);5*5H,1-3H3/t24-,27-;18-,21-;19-,22+;18-,21-;16-,19-;;;;;/m00000...../s1 |
| InChIKey | MGXQYNQOYHIQCE-BNWQGVBUSA-N |
| XLogP | 17.85 |
| TPSA | 713.14 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 62 |
| Heavy Atoms | 198 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2743.47 |
| LogP ≤ 5 | 17.85 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 31 |