N-(2-Amino-3-((2-amino-3-((1-carboxy-2-(4-hydroxyphenyl)ethyl)amino)-3-oxopropyl)dithio)propanoyl)-4-hydroxyphenylalanine
[CAS# 7369-94-0]

Identification

• Name: N-(2-Amino-3-((2-amino-3-((1-carboxy-2-(4-hydroxyphenyl)ethyl)amino)-3-oxopropyl)dithio)propanoyl)-4-hydroxyphenylalanine
• Synonyms: 2-[[2-Amino-3-[2-Amino-3-[[2-Hydroxy-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-3-Oxo-Propyl]Disulfanyl-Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid; 2-[[2-Amino-3-[2-Amino-3-[[2-Hydroxy-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-3-Oxopropyl]Disulfanyl-1-Oxopropyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid; 2-[[2-Amino-3-[2-Amino-3-[[2-Hydroxy-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-3-Keto-Propyl]Disulfanyl-Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propionic Acid
• Molecular Formula: C₂₄H₃₀N₄O₈S₂
• Molecular Weight: 566.64
• CAS Registry Number: 7369-94-0
• SMILES: C2=C(CC(NC(C(CSSCC(C(NC(CC1=CC=C(O)C=C1)C(O)=O)=O)N)N)=O)C(O)=O)C=CC(=C2)O
• InChI: 1S/C24H30N4O8S2/c25-17(21(31)27-19(23(33)34)9-13-1-5-15(29)6-2-13)11-37-38-12-18(26)22(32)28-20(24(35)36)10-14-3-7-16(30)8-4-14/h1-8,17-20,29-30H,9-12,25-26H2,(H,27,31)(H,28,32)(H,33,34)(H,35,36)
• InChIKey: ZZWGDFPODQWICQ-UHFFFAOYSA-N

Properties

• Density: 1.48g/cm³ (Cal.)
• Boiling point: 959.039°C at 760 mmHg (Cal.)
• Flash point: 533.807°C (Cal.)