N-Succinyl-alanyl-methionyl-S-benzylcysteine-4-nitroanilide
TL;DR: N-Succinyl-alanyl-methionyl-S-benzylcysteine-4-nitroanilide (CAS 117823-37-7) is a chemical compound with molecular formula C28H35N5O8S2 and molecular weight 633.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2S)-1-[[(2S)-1-[[(2R)-3-benzylsulfanyl-2-(4-nitroanilino)propanoyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Also Known As: SAMBN, N-Succinyl-alanyl-methionyl-S-benzylcysteine-4-nitroanilide, 4-[[(2S)-1-[[(2S)-1-[[(2R)-3-benzylsulfanyl-2-(4-nitroanilino)propanoyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid, N-(3-Carboxypropanoyl)-L-alanyl-N-[(2R)-3-(benzylsulfanyl)-2-(4-nitroanilino)propanoyl]-L-methioninamide, RefChem:164227
| Molecular Formula | C28H35N5O8S2 |
|---|---|
| Molecular Weight | 633.19 g/mol |
| LogP | 2.5589 |
| Topological Polar Surface Area | 196.84 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Exact Mass | 633.1927 |
| Heavy Atoms | 43 |
| Complexity | 1263.5582 |
Chemical Identifiers
| CAS Number | 117823-37-7 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](CCSC)C(=O)NC(=O)[C@H](CSCC1=CC=CC=C1)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCC(=O)O |
Product Overview
N-Succinyl-alanyl-methionyl-S-benzylcysteine-4-nitroanilide (CAS 117823-37-7), with molecular formula C28H35N5O8S2 and molecular weight 633.19 g/mol. IUPAC: 4-[[(2S)-1-[[(2S)-1-[[(2R)-3-benzylsulfanyl-2-(4-nitroanilino)propanoyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of N-Succinyl-alanyl-methionyl-S-benzylcysteine-4-nitroanilide
Property Insights of N-Succinyl-alanyl-methionyl-S-benzylcysteine-4-nitroanilide
The XLogP value of 2.5589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Succinyl-alanyl-methionyl-S-benzylcysteine-4-nitroanilide. The TPSA of 196.84 Ų indicates high polarity, suggesting N-Succinyl-alanyl-methionyl-S-benzylcysteine-4-nitroanilide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Succinyl-alanyl-methionyl-S-benzylcysteine-4-nitroanilide has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Succinyl-alanyl-methionyl-S-benzylcysteine-4-nitroanilide?
The CAS number of N-Succinyl-alanyl-methionyl-S-benzylcysteine-4-nitroanilide is 117823-37-7.
What is the molecular formula of N-Succinyl-alanyl-methionyl-S-benzylcysteine-4-nitroanilide?
The molecular formula of N-Succinyl-alanyl-methionyl-S-benzylcysteine-4-nitroanilide is C28H35N5O8S2.
What is the molecular weight of N-Succinyl-alanyl-methionyl-S-benzylcysteine-4-nitroanilide?
The molecular weight of N-Succinyl-alanyl-methionyl-S-benzylcysteine-4-nitroanilide is 633.19 g/mol.
Where can I buy N-Succinyl-alanyl-methionyl-S-benzylcysteine-4-nitroanilide?
You can request a quote for N-Succinyl-alanyl-methionyl-S-benzylcysteine-4-nitroanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Succinyl-alanyl-methionyl-S-benzylcysteine-4-nitroanilide?
Yes, KEHONG BIO provides custom synthesis services for N-Succinyl-alanyl-methionyl-S-benzylcysteine-4-nitroanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.