2-Benzyl-3-Mercaptopropanoyl-Alanylglycinamide
[CAS# 71431-51-1]

Identification

• Name: 2-Benzyl-3-Mercaptopropanoyl-Alanylglycinamide
• Synonyms: N-[(1S)-2-[(2-Amino-2-Oxo-Ethyl)Amino]-1-Methyl-2-Oxo-Ethyl]-2-(Phenylmethyl)-3-Sulfanyl-Propanamide; N-[(1S)-2-[(2-Amino-2-Oxoethyl)Amino]-1-Methyl-2-Oxoethyl]-2-(Mercaptomethyl)-3-Phenylpropanamide; N-[(1S)-2-[(2-Amino-2-Keto-Ethyl)Amino]-2-Keto-1-Methyl-Ethyl]-2-(Benzyl)-3-Mercapto-Propionamide
• Molecular Formula: C₁₅H₂₁N₃O₃S
• Molecular Weight: 323.41
• CAS Registry Number: 71431-51-1
• SMILES: [C@@H](NC(=O)C(CC1=CC=CC=C1)CS)(C(=O)NCC(=O)N)C
• InChI: 1S/C15H21N3O3S/c1-10(14(20)17-8-13(16)19)18-15(21)12(9-22)7-11-5-3-2-4-6-11/h2-6,10,12,22H,7-9H2,1H3,(H2,16,19)(H,17,20)(H,18,21)/t10-,12?/m0/s1
• InChIKey: AUJQAKJLNYFOHT-NUHJPDEHSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 680.833°C at 760 mmHg (Cal.)
• Flash point: 365.555°C (Cal.)