(2S)-N-[5-[3-[3-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Amino]Propylamino]Propylamino]Pentyl]-2-[[2-(2,4-Dihydroxyphenyl)Acetyl]Amino]Butanediamide
[CAS# 105029-41-2]

Identification

• Name: (2S)-N-[5-[3-[3-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Amino]Propylamino]Propylamino]Pentyl]-2-[[2-(2,4-Dihydroxyphenyl)Acetyl]Amino]Butanediamide
• Synonyms: (2S)-N-[5-[3-[3-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]Propylamino]Propylamino]Pentyl]-2-[[2-(2,4-Dihydroxyphenyl)Acetyl]Amino]Butanediamide; (2S)-N-[5-[3-[3-[[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]Amino]Propylamino]Propylamino]Pentyl]-2-[[2-(2,4-Dihydroxyphenyl)-1-Oxoethyl]Amino]Butanediamide; (2S)-N-[5-[3-[3-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]Propylamino]Propylamino]Pentyl]-2-[[2-(2,4-Dihydroxyphenyl)Acetyl]Amino]Succinamide
• Molecular Formula: C₂₉H₅₂N₁₀O₆
• Molecular Weight: 636.79
• CAS Registry Number: 105029-41-2 (108687-79-2)
• SMILES: [C@H](N)(CCCN=C(N)N)C(=O)NCCCNCCCNCCCCCNC(=O)[C@@H](NC(=O)CC1=C(O)C=C(O)C=C1)CC(=O)N
• InChI: 1S/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/m0/s1
• InChIKey: FTNICLJXPYLDAH-GOTSBHOMSA-N

Properties

• Density: 1.358g/cm³ (Cal.)