methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylpentanoate

Base Information

• Chemical Name: methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylpentanoate
• CAS No.: 171744-11-9
• Molecular Formula: C23H31 N3 O3 S
• Molecular Weight: 429.58
• European Community (EC) Number: 808-605-9
• Nikkaji Number: J696.687J
• ChEMBL ID: CHEMBL28325
• Mol file: 171744-11-9.mol

Synonyms:GGTI 286;GGTI-286;GGTI286

Chemical Property of methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylpentanoate

Chemical Property:

• PSA: 132.25000
• LogP: 4.50430
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 429.20861303
• Heavy Atom Count: 30
• Complexity: 540

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)NCC(CS)N)C2=CC=CC=C2
• Isomeric SMILES: CC(C)C[C@@H](C(=O)OC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2