TL;DR: L-Tryptophan, N,N'-(1,3-phenylenedicarbonyl)bis-, dimethyl ester (9CI) (CAS 136101-05-8) is a chemical compound with molecular formula C32H30N4O6 and molecular weight 566.21655 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-3-(1H-indol-3-yl)-2-[[3-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]benzoyl]amino]propanoate
Also Known As: J3.616.846C, L-Tryptophan, N,N'-(1,3-phenylenedicarbonyl)bis-, dimethyl ester (9CI), L-Tryptophan,N,N'-(1,3-phenylenedicarbonyl)bis-,dimethyl ester (9CI), methyl (2S)-3-(1H-indol-3-yl)-2-[[3-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]benzoyl]amino]propanoate, Nalpha,Nalpha -[m-Phenylenebis(carbonyl)]bis(L-tryptophan methyl) ester
| Molecular Formula | C32H30N4O6 |
| Molecular Weight | 566.21655 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 566.21655 Da |
| Heavy Atoms | 42 |
| Complexity | 903.0 |
| SMILES | COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)OC |
| InChIKey | UHRUVWDYBASIFT-NSOVKSMOSA-N |
The XLogP value of 4.1 indicates that L-Tryptophan, N,N'-(1,3-phenylenedicarbonyl)bis-, dimethyl ester (9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting L-Tryptophan, N,N'-(1,3-phenylenedicarbonyl)bis-, dimethyl ester (9CI) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Tryptophan, N,N'-(1,3-phenylenedicarbonyl)bis-, dimethyl ester (9CI) has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of L-Tryptophan, N,N'-(1,3-phenylenedicarbonyl)bis-, dimethyl ester (9CI) is 136101-05-8.
The molecular formula of L-Tryptophan, N,N'-(1,3-phenylenedicarbonyl)bis-, dimethyl ester (9CI) is C32H30N4O6.
The molecular weight of L-Tryptophan, N,N'-(1,3-phenylenedicarbonyl)bis-, dimethyl ester (9CI) is 566.21655 g/mol.
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