(3S)-3-[[2-[[(Z,2S)-2-[[(3R,6R,8aS)-6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carbonyl]amino]-5-(diaminomethylideneamino)pent-3-enoyl]amino]acetyl]amino]-4-oxo-4-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butanoic acid

Base Information

• Chemical Name: (3S)-3-[[2-[[(Z,2S)-2-[[(3R,6R,8aS)-6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carbonyl]amino]-5-(diaminomethylideneamino)pent-3-enoyl]amino]acetyl]amino]-4-oxo-4-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butanoic acid
• CAS No.: 152323-73-4
• Molecular Formula: C29H39 N9 O8 S
• Molecular Weight: 673.7405
• Mol file: 152323-73-4.mol

Synonyms:GR 83895;GR-83895

Chemical Property of (3S)-3-[[2-[[(Z,2S)-2-[[(3R,6R,8aS)-6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carbonyl]amino]-5-(diaminomethylideneamino)pent-3-enoyl]amino]acetyl]amino]-4-oxo-4-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butanoic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 318.26000
• Density: 1.56g/cm³
• LogP: 2.09410
• XLogP3: -4.8
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 16
• Exact Mass: 673.26423041
• Heavy Atom Count: 47
• Complexity: 1240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2N(C(CS2)C(=O)NC(C=CCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C=O)C(=O)C1N
• Isomeric SMILES: C1C[C@H]2N([C@@H](CS2)C(=O)N[C@@H](/C=C\CN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C=O)C(=O)[C@@H]1N