C155H202N24O45 — CID 158062510
3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;tris(N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide);N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 158062510) has the molecular formula C155H202N24O45 and a molecular weight of 3121.44 g/mol. Its IUPAC name is 3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;tris(N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide);N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.
| Compound Name | 3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;tris(N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide);N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide |
|---|---|
| PubChem CID | 158062510 |
| Molecular Formula | C155H202N24O45 |
| Molecular Weight | 3121.44 g/mol |
| Exact Mass | 3119.43 |
| IUPAC Name | 3-methoxy-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide;N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;tris(N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide);N-[(2S)-3-methoxy-1-[[(2S)-1-[[(2S)-1-(1-methylcyclopropyl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide |
| SMILES | COC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C1(C)CC1.COC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1cccc(C)c1)C(=O)[C@@]1(C)CO1.COC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1cccc(C)c1)C(=O)[C@@]1(C)CO1.COC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1cccc(C)c1)C(=O)[C@@]1(C)CO1.COC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)C1(C)CC1.COC[C@H](NC(=O)c1cc(OC)no1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)C1(C)CC1 |
| InChI | InChI=1S/4C26H34N4O8.C26H34N4O7.C25H32N4O6/c3*1-15-7-6-8-17(9-15)11-18(22(31)26(3)14-37-26)27-24(33)20(12-35-4)29-25(34)21(13-36-5)28-23(32)19-10-16(2)38-30-19;1-26(10-11-26)22(31)17(12-16-8-6-5-7-9-16)27-23(32)18(14-35-2)28-24(33)19(15-36-3)29-25(34)20-13-21(37-4)30-38-20;1-16-12-19(30-37-16)23(32)28-21(15-36-4)25(34)29-20(14-35-3)24(33)27-18(22(31)26(2)10-11-26)13-17-8-6-5-7-9-17;1-15-12-19(29-35-15)23(32)28-20(14-34-4)24(33)26-16(2)22(31)27-18(21(30)25(3)10-11-25)13-17-8-6-5-7-9-17/h3*6-10,18,20-21H,11-14H2,1-5H3,(H,27,33)(H,28,32)(H,29,34);5-9,13,17-19H,10-12,14-15H2,1-4H3,(H,27,32)(H,28,33)(H,29,34);5-9,12,18,20-21H,10-11,13-15H2,1-4H3,(H,27,33)(H,28,32)(H,29,34);5-9,12,16,18,20H,10-11,13-14H2,1-4H3,(H,26,33)(H,27,31)(H,28,32)/t3*18-,20-,21-,26+;17-,18-,19-;18-,20-,21-;16-,18-,20-/m000000/s1 |
| InChIKey | FKUYBSHPPHBOSD-LDZRCUJKSA-N |
| XLogP | 3.70 |
| TPSA | 930.75 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 51 |
| Rotatable Bonds | 83 |
| Heavy Atoms | 224 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3121.44 |
| LogP ≤ 5 | 3.70 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 51 |
| Structural Alerts | {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'} |
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