TL;DR: Argipressin, glutamic acid (gamma-N,N-diethylamide)(4)- (CAS 125443-54-1) is a chemical compound with molecular formula C50H73N15O12S2 and molecular weight 1139.5005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-13-benzyl-10-[3-(diethylamino)-3-oxopropyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Also Known As: Gade-argipressin, Argipressin, glutamic acid (gamma-N,N-diethylamide)(4)-, 4-Glutamic acid (gamma-N,N-diethylamide)-argipressin, Arginine vasopressin, glutamic acid (gamma-N,N-diethylamide)(4)-, (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-13-benzyl-10-[3-(diethylamino)-3-oxopropyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
| Molecular Formula | C50H73N15O12S2 |
| Molecular Weight | 1139.5005 g/mol |
| XLogP | -3.5 |
| Topological Polar Surface Area (TPSA) | 492.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 21 |
| Exact Mass | 1139.5005 Da |
| Heavy Atoms | 79 |
| Complexity | 2160.0 |
| SMILES | CCN(CC)C(=O)CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC3=CC=C(C=C3)O)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N |
| InChIKey | KIYIYCLLJJFWLB-QSVFAHTRSA-N |
The XLogP value of -3.5 indicates that Argipressin, glutamic acid (gamma-N,N-diethylamide)(4)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 492.0 Ų indicates high polarity, suggesting Argipressin, glutamic acid (gamma-N,N-diethylamide)(4)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Argipressin, glutamic acid (gamma-N,N-diethylamide)(4)- has 13 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Argipressin, glutamic acid (gamma-N,N-diethylamide)(4)- is 125443-54-1.
The molecular formula of Argipressin, glutamic acid (gamma-N,N-diethylamide)(4)- is C50H73N15O12S2.
The molecular weight of Argipressin, glutamic acid (gamma-N,N-diethylamide)(4)- is 1139.5005 g/mol.
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