(2S)-1-[(S)-(Benzoylamino)-Methyl-(Phenylmethyl)Azaniumyl]-3-[(2-Methylpropan-2-Yl)Oxycarbonylamino]-4-Phenylbutan-2-Olate
[CAS# 178820-70-7]

Identification

• Name: (2S)-1-[(S)-(Benzoylamino)-Methyl-(Phenylmethyl)Azaniumyl]-3-[(2-Methylpropan-2-Yl)Oxycarbonylamino]-4-Phenylbutan-2-Olate
• Synonyms: (2S)-1-[(S)-(Benzoylamino)-Methyl-(Phenylmethyl)Ammonio]-3-(Tert-Butoxycarbonylamino)-4-Phenyl-Butan-2-Olate; (2S)-3-[(Tert-Butoxy-Oxomethyl)Amino]-1-[(S)-Methyl-[(Oxo-Phenylmethyl)Amino]-(Phenylmethyl)Ammonio]-4-Phenylbutan-2-Olate; (2S)-1-[(S)-(Benzoylamino)-(Benzyl)-Methyl-Ammonio]-3-(Tert-Butoxycarbonylamino)-4-Phenyl-Butan-2-Olate
• Molecular Formula: C₃₀H₃₇N₃O₄
• Molecular Weight: 503.64
• CAS Registry Number: 178820-70-7
• SMILES: [N@+](NC(C1=CC=CC=C1)=O)(CC2=CC=CC=C2)(C)C[C@@H](C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)[O-]
• InChI: 1S/C30H37N3O4/c1-30(2,3)37-29(36)31-26(20-23-14-8-5-9-15-23)27(34)22-33(4,21-24-16-10-6-11-17-24)32-28(35)25-18-12-7-13-19-25/h5-19,26-27H,20-22H2,1-4H3,(H,31,36)(H,32,35)/t26?,27-,33-/m0/s1
• InChIKey: VFHVMNORSGLKBR-MKWATWPISA-N