[2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl] (2R)-2-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-2-[[(2S)-2-amino-3,3-dithiophen-2-ylpropanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoate

Base Information

• Chemical Name: [2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl] (2R)-2-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-2-[[(2S)-2-amino-3,3-dithiophen-2-ylpropanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoate
• CAS No.: 103433-42-7
• Molecular Formula: C50H71N15O12S2
• Molecular Weight: 1138.322
• DSSTox Substance ID: DTXSID90145853
• Mol file: 103433-42-7.mol

Synonyms:Arg-Pro-Hyp-Gly-Thi-Ser-Phe-Thi-Arg TFA;Arg-Pro-Hyp-Gly-Thi-Ser-Phe-Thi-Arg-OH;arginyl-prolyl-4-hydroxyprolyl-glycyl-beta-(2-thienyl)alanyl-seryl-phenylalanyl-beta-(2-thienyl)alanyl-arginine trifluoroacetic acid;B 4146;B 4146, mono(trifluoroacetate salt);B 4146, trifluoroacetate salt;B 4147;B-4146;B-4147;B4146;B4147

Chemical Property of [2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl] (2R)-2-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-2-[[(2S)-2-amino-3,3-dithiophen-2-ylpropanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.56g/cm³
• XLogP3: -3.5
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 30
• Exact Mass: 1137.48480511
• Heavy Atom Count: 79
• Complexity: 2200

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(=O)C(C(C2=CC=CS2)C3=CC=CS3)N)C(CCCN=C(N)N)(C(=O)C4CCCN4C(=O)C(CCCN=C(N)N)N)C(=O)OC(=O)CNC(=O)C5CC(CN5)O)N
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N(C(=O)[C@H](C(C2=CC=CS2)C3=CC=CS3)N)[C@](CCCN=C(N)N)(C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)N)C(=O)OC(=O)CNC(=O)[C@@H]5C[C@H](CN5)O)N