AC1MIX02
methyl 2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate
Also Known As: BAS 00380281|methyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanamido)-3-methylbutanoate|methyl 2-{3-indol-3-yl-2-[(phenylmethoxy)carbonylamino]propanoylamino}-3-methy lbutanoate|(S)-Methyl 2-((S)-2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanamido)-3-methylbutanoate|methyl (2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanamido]-3-methylbutanoate|methyl 2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate|methyl 2-{[2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoyl]amino}-3-methylbutanoate
| Molecular Formula | C25H29N3O5 |
|---|---|
| Molecular Weight | 451.21072 g/mol |
| LogP | 3.3192 |
| Topological Polar Surface Area | 109.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 451.21072 |
| Monoisotopic Mass | 451.21072 |
| Heavy Atoms | 33 |
| Complexity | 1093.6301 |
Chemical Identifiers
| CAS Number | 6366-94-5 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3 |
Product Overview
AC1MIX02 (CAS 6366-94-5), with molecular formula C25H29N3O5 and molecular weight 451.21072 g/mol. IUPAC: methyl 2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate.