N-[(1,1-Dimethylethoxy)Carbonyl]-S-(Phenylmethyl)-L-Cysteine 4-Nitrophenyl Ester
[CAS# 3560-17-6]

Identification

• Name: N-[(1,1-Dimethylethoxy)Carbonyl]-S-(Phenylmethyl)-L-Cysteine 4-Nitrophenyl Ester
• Synonyms: (4-Nitrophenyl) 2-(Tert-Butoxycarbonylamino)-3-(Phenylmethylsulfanyl)Propanoate; 2-[(Tert-Butoxy-Oxomethyl)Amino]-3-(Phenylmethylthio)Propanoic Acid (4-Nitrophenyl) Ester; 3-(Benzylthio)-2-(Tert-Butoxycarbonylamino)Propionic Acid (4-Nitrophenyl) Ester
• Molecular Formula: C₂₁H₂₄N₂O₆S
• Molecular Weight: 432.49
• CAS Registry Number: 3560-17-6
• EINECS: 222-622-3
• SMILES: C1=CC(=CC=C1OC(C(NC(OC(C)(C)C)=O)CSCC2=CC=CC=C2)=O)[N+](=O)[O-]
• InChI: 1S/C21H24N2O6S/c1-21(2,3)29-20(25)22-18(14-30-13-15-7-5-4-6-8-15)19(24)28-17-11-9-16(10-12-17)23(26)27/h4-12,18H,13-14H2,1-3H3,(H,22,25)
• InChIKey: DEQZTANESNRFKU-UHFFFAOYSA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Boiling point: 608.541°C at 760 mmHg (Cal.)
• Flash point: 321.834°C (Cal.)