(2S)-2-Amino-N-[(1S)-1-[[(1S)-1-Carbamoylethyl]Carbamoylmethylcarbamoyl]Ethyl]Butanediamide
[CAS# 84619-63-6]

Identification

• Name: (2S)-2-Amino-N-[(1S)-1-[[(1S)-1-Carbamoylethyl]Carbamoylmethylcarbamoyl]Ethyl]Butanediamide
• Synonyms: (2S)-2-Amino-N-[(1S)-2-[[2-[[(1S)-2-Amino-1-Methyl-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]Butanediamide; (2S)-2-Amino-N-[(1S)-2-[[2-[[(1S)-2-Amino-1-Methyl-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-1-Methyl-2-Oxoethyl]Butanediamide; (2S)-2-Amino-N-[(1S)-2-[[2-[[(1S)-2-Amino-2-Keto-1-Methyl-Ethyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]Succinamide
• Molecular Formula: C₁₂H₂₂N₆O₅
• Molecular Weight: 330.34
• CAS Registry Number: 84619-63-6
• SMILES: [C@H](NC(CNC([C@@H](NC([C@@H](N)CC(=O)N)=O)C)=O)=O)(C)C(=O)N
• InChI: 1S/C12H22N6O5/c1-5(10(15)21)17-9(20)4-16-11(22)6(2)18-12(23)7(13)3-8(14)19/h5-7H,3-4,13H2,1-2H3,(H2,14,19)(H2,15,21)(H,16,22)(H,17,20)(H,18,23)/t5-,6-,7-/m0/s1
• InChIKey: ZHRWYRKHIBLAQB-ACZMJKKPSA-N

Properties

• Density: 1.317g/cm³ (Cal.)
• Boiling point: 894.79°C at 760 mmHg (Cal.)
• Flash point: 494.951°C (Cal.)