(2R,5S)-5-Amino-8-Guanidino-4-Oxo-2-p-Hydroxyphenylmethyloctanoic Acid Hemisulfate Monohydrate
[CAS# 144110-38-3]

Identification

• Name: (2R,5S)-5-Amino-8-Guanidino-4-Oxo-2-p-Hydroxyphenylmethyloctanoic Acid Hemisulfate Monohydrate
• Synonyms: (2R,5S)-5-AMINO-8-GUANIDINO-4-OXO-2-P-HYDROXYPHENYLMETHYLOCTANOIC ACID HEMISULFATE MONOHYDRATE; (R)-Α-[(3S)-3-Amino-6-[(Aminoiminomethyl)Amino]-2-Oxohexyl]-4-Hydroxybenzenepropanoic Acid; (2R,5S)-5-AMINO-8-GUANIDINO-4-OXO-2-P-HYDROXYPHENYLMETHYLOCTANOIC ACID (SULFATE FORM)
• Molecular Formula: C₃₂H₅₀N₈O₁₂S
• Molecular Weight: 770.85
• CAS Registry Number: 144110-38-3
• SMILES: OS(=O)(=O)O.NC(=N)NCCC[C@H](C(=O)C[C@@H](C(=O)O)Cc1ccc(cc1)O)N.NC(=N)NCCC[C@H](C(=O)C[C@@H](C(=O)O)Cc1ccc(cc1)O)N
• InChI: 1S/2C16H24N4O4.H2O4S/c2*17-13(2-1-7-20-16(18)19)14(22)9-11(15(23)24)8-10-3-5-12(21)6-4-10;1-5(2,3)4/h2*3-6,11,13,21H,1-2,7-9,17H2,(H,23,24)(H4,18,19,20);(H2,1,2,3,4)/t2*11-,13+;/m00./s1