TL;DR: Noa-Asn-Apns-Dmt-NH-tBu (CAS 141804-42-4) is a chemical compound with molecular formula C36H45N5O7S and molecular weight 691.30396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(2-naphthalen-1-yloxyacetyl)amino]butanediamide
Also Known As: Noa-Asn-Apns-Dmt-NH-tBu, Kni 174, (2S)-N-[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(2-naphthalen-1-yloxyacetyl)amino]butanediamide, (2S)-N-[(1S,2S)-1-benzyl-3-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-thiazolidin-3-yl]-2-hydroxy-3-oxo-propyl]-2-[[2-(1-naphthyloxy)acetyl]amino]butanediamide, (2S)-N-[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[2-(naphthalen-1-yloxy)acetamido]butanediamide
| Molecular Formula | C36H45N5O7S |
| Molecular Weight | 691.30396 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 205.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 691.30396 Da |
| Heavy Atoms | 49 |
| Complexity | 1190.0 |
| SMILES | CC1([C@H](N(CS1)C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(C)(C)C)C |
| InChIKey | UFSMRNQSQSGJII-QYRZKEDASA-N |
The XLogP value of 3.1 indicates that Noa-Asn-Apns-Dmt-NH-tBu is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 205.0 Ų indicates high polarity, suggesting Noa-Asn-Apns-Dmt-NH-tBu may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Noa-Asn-Apns-Dmt-NH-tBu has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Noa-Asn-Apns-Dmt-NH-tBu is 141804-42-4.
The molecular formula of Noa-Asn-Apns-Dmt-NH-tBu is C36H45N5O7S.
The molecular weight of Noa-Asn-Apns-Dmt-NH-tBu is 691.30396 g/mol.
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