(2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-1-[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(4-ethoxyphenyl)-2-[[2-(1-sulfanylcyclohexyl)acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylidenepropanoyl]pyrrolidine-2-carbonyl]amino]pentanediamide

Base Information

• Chemical Name: (2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-1-[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(4-ethoxyphenyl)-2-[[2-(1-sulfanylcyclohexyl)acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylidenepropanoyl]pyrrolidine-2-carbonyl]amino]pentanediamide
• CAS No.: 111372-60-2
• Molecular Formula: C56H82 N14 O12 S2
• Molecular Weight: 1207.4669
• DSSTox Substance ID: DTXSID80149608
• Mol file: 111372-60-2.mol

Synonyms:SK and F 103784;SK and F-103784;SKF 103784

Chemical Property of (2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-1-[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(4-ethoxyphenyl)-2-[[2-(1-sulfanylcyclohexyl)acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylidenepropanoyl]pyrrolidine-2-carbonyl]amino]pentanediamide

Chemical Property:

• Density: 1.43g/cm³
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 34
• Exact Mass: 1206.56780645
• Heavy Atom Count: 84
• Complexity: 2320

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(C=S)C(=O)N3CCCC3C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)CC4(CCCCC4)S
• Isomeric SMILES: CCOC1=CC=C(C=C1)C[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C=S)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)CC4(CCCCC4)S