(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-3-Carbamoyl-Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]Propanoyl]Amino]-3-Carbamoyl-Propanoic Acid
[CAS# 84619-64-7]

Identification

• Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-3-Carbamoyl-Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]Propanoyl]Amino]-3-Carbamoyl-Propanoic Acid
• Synonyms: (2S)-4-Amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2,4-Diamino-4-Oxo-Butanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]Propanoyl]Amino]-4-Oxo-Butanoic Acid; (2S)-4-Amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2,4-Diamino-1,4-Dioxobutyl]Amino]-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-1-Oxopropyl]Amino]-4-Oxobutanoic Acid; (2S)-4-Amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2,4-Diamino-4-Keto-Butanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]Propanoyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₁₆H₂₇N₇O₈
• Molecular Weight: 445.43
• CAS Registry Number: 84619-64-7
• SMILES: [C@@H](N)(C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)CC(=O)N)CC(=O)N
• InChI: 1S/C16H27N7O8/c1-6(22-15(29)8(17)3-10(18)24)13(27)20-5-12(26)21-7(2)14(28)23-9(16(30)31)4-11(19)25/h6-9H,3-5,17H2,1-2H3,(H2,18,24)(H2,19,25)(H,20,27)(H,21,26)(H,22,29)(H,23,28)(H,30,31)/t6-,7-,8-,9-/m0/s1
• InChIKey: UOJXREHHYNGJEK-JBDRJPRFSA-N

Properties

• Density: 1.402g/cm³ (Cal.)
• Boiling point: 1110.688°C at 760 mmHg (Cal.)
• Flash point: 625.522°C (Cal.)