(2S)-2-Amino-5-[[2-[3-(4-Aminobutylamino)Propylamino]Acetyl]-[(2R)-2-Amino-3-Sulfanylpropanoyl]Amino]-5-Oxopentanoic Acid
[CAS# 33932-35-3]

Identification

• Name: (2S)-2-Amino-5-[[2-[3-(4-Aminobutylamino)Propylamino]Acetyl]-[(2R)-2-Amino-3-Sulfanylpropanoyl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[2-[3-(4-Aminobutylamino)Propylamino]Acetyl]-[(2R)-2-Amino-3-Sulfanyl-Propanoyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[2-[3-(4-Aminobutylamino)Propylamino]-1-Oxoethyl]-[(2R)-2-Amino-3-Mercapto-1-Oxopropyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[2-[3-(4-Aminobutylamino)Propylamino]Acetyl]-[(2R)-2-Amino-3-Mercapto-Propanoyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₇H₃₄N₆O₅S
• Molecular Weight: 434.55
• CAS Registry Number: 33932-35-3
• SMILES: [C@H](C(N(C(CNCCCNCCCCN)=O)C(CC[C@@H](C(=O)O)N)=O)=O)(N)CS
• InChI: 1S/C17H34N6O5S/c18-6-1-2-7-21-8-3-9-22-10-15(25)23(16(26)13(20)11-29)14(24)5-4-12(19)17(27)28/h12-13,21-22,29H,1-11,18-20H2,(H,27,28)/t12-,13-/m0/s1
• InChIKey: WLMCGHNETVRYRY-STQMWFEESA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 643.262°C at 760 mmHg (Cal.)
• Flash point: 342.833°C (Cal.)