(2S)-N-[2-[[4-(Acridin-9-Ylamino)Phenyl]Amino]Acetyl]-6-Amino-2-[[(2S)-2-[(2-Aminoacetyl)Amino]-3-(4H-Imidazol-4-Yl)Propanoyl]Amino]Hexanamide
[CAS# 121034-91-1]

Identification

• Name: (2S)-N-[2-[[4-(Acridin-9-Ylamino)Phenyl]Amino]Acetyl]-6-Amino-2-[[(2S)-2-[(2-Aminoacetyl)Amino]-3-(4H-Imidazol-4-Yl)Propanoyl]Amino]Hexanamide
• Synonyms: (2S)-N-[2-[[4-(9-Acridinylamino)Phenyl]Amino]-1-Oxoethyl]-6-Amino-2-[[(2S)-2-[(2-Amino-1-Oxoethyl)Amino]-3-(4H-Imidazol-4-Yl)-1-Oxopropyl]Amino]Hexanamide; (2S)-N-[2-[[4-(Acridin-9-Ylamino)Phenyl]Amino]Acetyl]-6-Amino-2-[[(2S)-2-(Glycylamino)-3-(4H-Imidazol-4-Yl)Propanoyl]Amino]Hexanamide; (2S)-N-[2-[[4-(Acridin-9-Ylamino)Phenyl]Amino]Ethanoyl]-6-Amino-2-[[(2S)-2-(2-Aminoethanoylamino)-3-(4H-Imidazol-4-Yl)Propanoyl]Amino]Hexanamide
• Molecular Formula: C₃₅H₄₀N₁₀O₄
• Molecular Weight: 664.77
• CAS Registry Number: 121034-91-1
• SMILES: [C@@H](NC(=O)CN)(C(=O)N[C@H](C(=O)NC(=O)CNC4=CC=C(NC1=C3C(=NC2=C1C=CC=C2)C=CC=C3)C=C4)CCCCN)CC5N=CN=C5
• InChI: 1S/C35H40N10O4/c36-16-6-5-11-29(44-35(49)30(43-31(46)18-37)17-24-19-38-21-40-24)34(48)45-32(47)20-39-22-12-14-23(15-13-22)41-33-25-7-1-3-9-27(25)42-28-10-4-2-8-26(28)33/h1-4,7-10,12-15,19,21,24,29-30,39H,5-6,11,16-18,20,36-37H2,(H,41,42)(H,43,46)(H,44,49)(H,45,47,48)/t24?,29-,30-/m0/s1
• InChIKey: PEHRPMUOLJFLMT-WVQMWBIHSA-N

Properties

• Density: 1.407g/cm³ (Cal.)