(2S)-N-[3-[4-[3-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Amino]Propyl-Methylamino]Butyl-Methylamino]Propyl]-2-[[2-(2,4-Dihydroxyphenyl)Acetyl]Amino]Butanediamide
[CAS# 111924-44-8]

Identification

• Name: (2S)-N-[3-[4-[3-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Amino]Propyl-Methylamino]Butyl-Methylamino]Propyl]-2-[[2-(2,4-Dihydroxyphenyl)Acetyl]Amino]Butanediamide
• Synonyms: (2S)-N-[3-[4-[3-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]Propyl-Methyl-Amino]Butyl-Methyl-Amino]Propyl]-2-[[2-(2,4-Dihydroxyphenyl)Acetyl]Amino]Butanediamide; (2S)-N-[3-[4-[3-[[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]Amino]Propyl-Methylamino]Butyl-Methylamino]Propyl]-2-[[2-(2,4-Dihydroxyphenyl)-1-Oxoethyl]Amino]Butanediamide; (2S)-N-[3-[4-[3-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]Propyl-Methyl-Amino]Butyl-Methyl-Amino]Propyl]-2-[[2-(2,4-Dihydroxyphenyl)Acetyl]Amino]Succinamide
• Molecular Formula: C₃₀H₅₄N₁₀O₆
• Molecular Weight: 650.82
• CAS Registry Number: 111924-44-8
• SMILES: [C@H](N)(CCCN=C(N)N)C(=O)NCCCN(CCCCN(CCCNC(=O)[C@@H](NC(=O)CC1=C(O)C=C(O)C=C1)CC(=O)N)C)C
• InChI: 1S/C30H54N10O6/c1-39(16-6-12-35-28(45)23(31)8-5-11-37-30(33)34)14-3-4-15-40(2)17-7-13-36-29(46)24(20-26(32)43)38-27(44)18-21-9-10-22(41)19-25(21)42/h9-10,19,23-24,41-42H,3-8,11-18,20,31H2,1-2H3,(H2,32,43)(H,35,45)(H,36,46)(H,38,44)(H4,33,34,37)/t23-,24-/m0/s1
• InChIKey: VKZLKNJDFHRROD-ZEQRLZLVSA-N

Properties

• Density: 1.314g/cm³ (Cal.)