2-[[(2S)-1-[(2-Aminoacetyl)-(2-Dimethylaminobenzoyl)Amino]-3-Methyl-1-Oxobutan-2-Yl]-Methylamino]Benzoic Acid
[CAS# 106283-19-6]

Identification

• Name: 2-[[(2S)-1-[(2-Aminoacetyl)-(2-Dimethylaminobenzoyl)Amino]-3-Methyl-1-Oxobutan-2-Yl]-Methylamino]Benzoic Acid
• Synonyms: 2-[[(1S)-1-[(2-Aminoacetyl)-(2-Dimethylaminobenzoyl)Carbamoyl]-2-Methyl-Propyl]-Methyl-Amino]Benzoic Acid; 2-[[(1S)-1-[[(2-Amino-1-Oxoethyl)-[(2-Dimethylaminophenyl)-Oxomethyl]Amino]-Oxomethyl]-2-Methylpropyl]-Methylamino]Benzoic Acid; 2-[[(1S)-1-[(2-Dimethylaminobenzoyl)-Glycyl-Carbamoyl]-2-Methyl-Propyl]-Methyl-Amino]Benzoic Acid
• Molecular Formula: C₂₄H₃₀N₄O₅
• Molecular Weight: 454.52
• CAS Registry Number: 106283-19-6
• SMILES: [C@H](C(=O)N(C(C1=CC=CC=C1N(C)C)=O)C(CN)=O)(N(C)C2=CC=CC=C2C(=O)O)C(C)C
• InChI: 1S/C24H30N4O5/c1-15(2)21(27(5)19-13-9-7-11-17(19)24(32)33)23(31)28(20(29)14-25)22(30)16-10-6-8-12-18(16)26(3)4/h6-13,15,21H,14,25H2,1-5H3,(H,32,33)/t21-/m0/s1
• InChIKey: RNZJFWUBHXEONV-NRFANRHFSA-N

Properties

• Density: 1.267g/cm³ (Cal.)
• Boiling point: 623.939°C at 760 mmHg (Cal.)
• Flash point: 331.146°C (Cal.)