TL;DR: H-Val-Ser-Gln-Asn-Phe-psi(CH2N)-Pro-Ile-Val-OH (CAS 124020-61-7) is a chemical compound with molecular formula C42H68N10O11 and molecular weight 888.5069 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid
Also Known As: U-84645E, H-Val-Ser-Gln-Asn-Phe-psi(CH2N)-Pro-Ile-Val-OH, H-Val-Ser-Gln-Asn-Phe-.psi.[CH2N]-Pro-Ile-Val-OH, L-Val-L-Ser-L-Gln-L-Asn-[(2S)-2-Amino*-3-phenylpropyl]-L-Pro-L-Ile-L-Val-OH, (2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-AMINO-3-METHYLBUTANAMIDO]-3-HYDROXYPROPANAMIDO]-4-CARBAMOYLBUTANAMIDO]-3-CARBAMOYLPROPANAMIDO]-3-PHENYLPROPYL]PYRROLIDIN-2-YL]FORMAMIDO}-3-METHYLPENTANAMIDO]-3-METHYLBUTANOIC ACID
| Molecular Formula | C42H68N10O11 |
| Molecular Weight | 888.5069 g/mol |
| XLogP | -2.8 |
| Topological Polar Surface Area (TPSA) | 348.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 27 |
| Exact Mass | 888.5069 Da |
| Heavy Atoms | 63 |
| Complexity | 1590.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N |
| InChIKey | ORXLSWQOYHIVKX-LURVAWHWSA-N |
The XLogP value of -2.8 indicates that H-Val-Ser-Gln-Asn-Phe-psi(CH2N)-Pro-Ile-Val-OH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 348.0 Ų indicates high polarity, suggesting H-Val-Ser-Gln-Asn-Phe-psi(CH2N)-Pro-Ile-Val-OH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, H-Val-Ser-Gln-Asn-Phe-psi(CH2N)-Pro-Ile-Val-OH has 11 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of H-Val-Ser-Gln-Asn-Phe-psi(CH2N)-Pro-Ile-Val-OH is 124020-61-7.
The molecular formula of H-Val-Ser-Gln-Asn-Phe-psi(CH2N)-Pro-Ile-Val-OH is C42H68N10O11.
The molecular weight of H-Val-Ser-Gln-Asn-Phe-psi(CH2N)-Pro-Ile-Val-OH is 888.5069 g/mol.
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