(2S)-N-[(2S)-1-[[(2S)-1-Amino-1-Oxopropan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]-4-Methyl-2-(Sulfanylmethyl)Pentanamide
[CAS# 120020-30-6]

Identification

• Name: (2S)-N-[(2S)-1-[[(2S)-1-Amino-1-Oxopropan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]-4-Methyl-2-(Sulfanylmethyl)Pentanamide
• Synonyms: (2S)-N-[(1S)-2-[[(1S)-2-Amino-1-Methyl-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-4-Methyl-2-(Sulfanylmethyl)Pentanamide; (2S)-N-[(1S)-2-[[(1S)-2-Amino-1-Methyl-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-2-(Mercaptomethyl)-4-Methylpentanamide; (2S)-N-[(1S)-2-[[(1S)-2-Amino-2-Keto-1-Methyl-Ethyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]-2-(Mercaptomethyl)-4-Methyl-Valeramide
• Molecular Formula: C₁₉H₂₉N₃O₃S
• Molecular Weight: 379.52
• CAS Registry Number: 120020-30-6
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@H](CC(C)C)CS)=O)CC1=CC=CC=C1)=O)C
• InChI: 1S/C19H29N3O3S/c1-12(2)9-15(11-26)18(24)22-16(10-14-7-5-4-6-8-14)19(25)21-13(3)17(20)23/h4-8,12-13,15-16,26H,9-11H2,1-3H3,(H2,20,23)(H,21,25)(H,22,24)/t13-,15+,16-/m0/s1
• InChIKey: LWDXOPIGTGCEOA-IMJJTQAJSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 689.062°C at 760 mmHg (Cal.)
• Flash point: 370.532°C (Cal.)