TL;DR: BILD 1357 (CAS 161635-61-6) is a chemical compound with molecular formula C51H76N6O8 and molecular weight 900.57245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(1S)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-benzyl-3-phenylpropanoyl)-methylamino]-3-methylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]-2-[[(3R)-2,2-dimethylpentan-3-yl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
Also Known As: BILD 1357, 1-[(1S)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-benzyl-3-phenylpropanoyl)-methylamino]-3-methylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]-2-[[(3R)-2,2-dimethylpentan-3-yl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid, 1-[(S)-[(2S)-2-[(2S)-2-[(2S)-2-(2-benzyl-N-methyl-3-phenylpropanamido)-3-methylbutanamido]-3,3-dimethylbutanamido]-4-oxo-4-(pyrrolidin-1-yl)butanamido]({[(3R)-2,2-dimethylpentan-3-yl]carbamoyl})methyl]cyclopentane-1-carboxylic acid, N-Methyl-N-[1-oxo-3-phenyl-2-(phenylmethyl)propyl]-L-Val-3-methyl-L-Val-4-oxo-4-(1-pyrrolidinyl)-L-Abu-2-(1-carboxycyclopentyl)-L-Gly-[(R)-1-tert-butylpropyl]NH2
| Molecular Formula | C51H76N6O8 |
| Molecular Weight | 900.57245 g/mol |
| XLogP | 7.7 |
| Topological Polar Surface Area (TPSA) | 194.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 22 |
| Exact Mass | 900.57245 Da |
| Heavy Atoms | 65 |
| Complexity | 1610.0 |
| SMILES | CC[C@H](C(C)(C)C)NC(=O)[C@H](C1(CCCC1)C(=O)O)NC(=O)[C@H](CC(=O)N2CCCC2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)C(CC3=CC=CC=C3)CC4=CC=CC=C4 |
| InChIKey | QRACUPFHILQVKO-ZEIRWQBWSA-N |
The XLogP value of 7.7 indicates that BILD 1357 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 194.0 Ų indicates high polarity, suggesting BILD 1357 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BILD 1357 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of BILD 1357 is 161635-61-6.
The molecular formula of BILD 1357 is C51H76N6O8.
The molecular weight of BILD 1357 is 900.57245 g/mol.
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