2-Amino-5-[[3-[(4-Bromophenyl)Methylsulfanyl]-1-(Carboxymethylamino)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 31702-37-1]

Identification

• Name: 2-Amino-5-[[3-[(4-Bromophenyl)Methylsulfanyl]-1-(Carboxymethylamino)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: 2-Amino-5-[[1-[(4-Bromophenyl)Methylsulfanylmethyl]-2-(Carboxymethylamino)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; 2-Amino-5-[[1-[[(4-Bromophenyl)Methylthio]Methyl]-2-(Carboxymethylamino)-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; 2-Amino-5-[[1-[[(4-Bromobenzyl)Thio]Methyl]-2-(Carboxymethylamino)-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₇H₂₂BrN₃O₆S
• Molecular Weight: 476.34
• CAS Registry Number: 31702-37-1
• SMILES: C1=CC(=CC=C1CSCC(C(NCC(=O)O)=O)NC(CCC(C(=O)O)N)=O)Br
• InChI: 1S/C17H22BrN3O6S/c18-11-3-1-10(2-4-11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)6-5-12(19)17(26)27/h1-4,12-13H,5-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)
• InChIKey: HMNYAPVDRLKBJH-UHFFFAOYSA-N

Properties

• Density: 1.554g/cm³ (Cal.)
• Boiling point: 837.737°C at 760 mmHg (Cal.)
• Flash point: 460.447°C (Cal.)