Edeine D
[CAS# 40627-96-1]

Identification

• Name: Edeine D
• Synonyms: (2R,6S,7R)-6-Amino-2-[[(2S)-3-Amino-2-[[(3R)-3-Amino-3-Hydroxy-Propanoyl]-[(2S)-3-Amino-2-Phenyl-Propanoyl]Amino]Propanoyl]Amino]-9-[[2-[3-(4-Aminobutylamino)Propylamino]Acetyl]Amino]-7-Hydroxy-9-Oxo-Nonanoic Acid; (2R,6S,7R)-6-Amino-2-[[(2S)-3-Amino-2-[[(3R)-3-Amino-3-Hydroxy-1-Oxopropyl]-[(2S)-3-Amino-1-Oxo-2-Phenylpropyl]Amino]-1-Oxopropyl]Amino]-9-[[2-[3-(4-Aminobutylamino)Propylamino]-1-Oxoethyl]Amino]-7-Hydroxy-9-Oxononanoic Acid; (2R,6S,7R)-6-Amino-2-[[(2S)-3-Amino-2-[[(3R)-3-Amino-3-Hydroxy-Propanoyl]-[(2S)-3-Amino-2-Phenyl-Propanoyl]Amino]Propanoyl]Amino]-9-[[2-[3-(4-Aminobutylamino)Propylamino]Acetyl]Amino]-7-Hydroxy-9-Keto-Pelargonic Acid
• Molecular Formula: C₃₃H₅₈N₁₀O₉
• Molecular Weight: 738.88
• CAS Registry Number: 40627-96-1
• SMILES: [C@@H](CC(NC(CNCCCNCCCCN)=O)=O)([C@H](CCC[C@H](C(=O)O)NC([C@@H](N(C(C[C@H](N)O)=O)C([C@H](CN)C1=CC=CC=C1)=O)CN)=O)N)O
• InChI: 1S/C33H58N10O9/c34-12-4-5-13-39-14-7-15-40-20-29(47)42-28(46)16-26(44)23(37)10-6-11-24(33(51)52)41-31(49)25(19-36)43(30(48)17-27(38)45)32(50)22(18-35)21-8-2-1-3-9-21/h1-3,8-9,22-27,39-40,44-45H,4-7,10-20,34-38H2,(H,41,49)(H,51,52)(H,42,46,47)/t22-,23+,24-,25+,26-,27-/m1/s1
• InChIKey: FPJBIRIVZPUIOL-DDURVGIBSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 1043.008°C at 760 mmHg (Cal.)
• Flash point: 584.59°C (Cal.)