tert-butyl (2S,4S)-4-[[(2S)-4-amino-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-4-oxobutanoyl]amino]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylbut-3-enoyl]amino]-4-methyl-3,5-bis(sulfanyl)pentanoyl]-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-6-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3-oxoheptanoate

Base Information

• Chemical Name: tert-butyl (2S,4S)-4-[[(2S)-4-amino-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-4-oxobutanoyl]amino]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylbut-3-enoyl]amino]-4-methyl-3,5-bis(sulfanyl)pentanoyl]-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-6-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3-oxoheptanoate
• CAS No.: 139555-60-5
• Molecular Formula: C56H99 N11 O17 S2
• Molecular Weight: 1262.57876
• Mol file: 139555-60-5.mol

Synonyms:Boc-cyclo(Cys-Ser(tBu)-Asn-Leu-Ser(tBu)-Thr(tBu)-Cys)-Val-Leu-Gly-OH;salmon calcitonin (1-10), t-butylated;t-butyloxycarbonyl-cyclo(cysteinyl-t-butylseryl-asparaginyl-leucyl-t-butylseryl-t-butylthreonyl-cysteinyl)-valyl-leucyl-glycine

Chemical Property of tert-butyl (2S,4S)-4-[[(2S)-4-amino-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-4-oxobutanoyl]amino]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylbut-3-enoyl]amino]-4-methyl-3,5-bis(sulfanyl)pentanoyl]-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-6-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3-oxoheptanoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1324.2°C at 760 mmHg
• Flash Point: 754.7°C
• PSA: 541.02000
• Density: 1.209g/cm³
• LogP: 6.92870
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 38
• Exact Mass: 1261.66618308
• Heavy Atom Count: 86
• Complexity: 2460

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)C(C(=O)C(C)NC(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)N(C(=O)C(COC(C)(C)C)N)C(=O)C(C(C(C)CS)S)NC(=O)C(C(=C)C)NC(=O)C(C)NC(=O)C(C(C)O)N)NC(=O)C(CC(=O)N)NC(=O)C(COC(C)(C)C)N
• Isomeric SMILES: C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(=C)C)C(=O)N[C@@H](C(C(C)CS)S)C(=O)N(C(=O)[C@H](COC(C)(C)C)N)[C@@](C(=O)[C@H](C)NC(=O)OC(C)(C)C)(C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](COC(C)(C)C)N)C(=O)OC(C)(C)C)N)O