[(Z)-2-[[(2R)-1-[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carbonyl]amino]ethenyl] (Z,2R)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]pent-4-enoate

Base Information

• Chemical Name: [(Z)-2-[[(2R)-1-[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carbonyl]amino]ethenyl] (Z,2R)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]pent-4-enoate
• CAS No.: 155919-39-4
• Molecular Formula: C34H40 N6 O6
• Molecular Weight: 628.72
• Mol file: 155919-39-4.mol

Synonyms:H-Tyr-c(D-Orn-2-Nal-D-Pro-Gly-);Tyr-c(Orn-2-Nal-Pro-Gly-);tyrosyl-cyclo(ornithyl-(2-naphthyl)alanyl-prolyl-glycyl-)

Chemical Property of [(Z)-2-[[(2R)-1-[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carbonyl]amino]ethenyl] (Z,2R)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]pent-4-enoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 975.3°Cat760mmHg
• PKA: 9.97±0.15(Predicted)
• Flash Point: 543.6°C
• PSA: 210.08000
• Density: 1.312g/cm³
• LogP: 5.17350
• XLogP3: 2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 14
• Exact Mass: 628.30093302
• Heavy Atom Count: 46
• Complexity: 1090

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(N(C1)C(=O)C(CC2=CC3=CC=CC=C3C=C2)N)C(=O)NC=COC(=O)C(CC=CN)NC(=O)C(CC4=CC=C(C=C4)O)N
• Isomeric SMILES: C1C[C@@H](N(C1)C(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)N)C(=O)N/C=C\OC(=O)[C@@H](C/C=C\N)NC(=O)[C@H](CC4=CC=C(C=C4)O)N