(2S)-N-[5-[3-[3-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Amino]Propylamino]Propylamino]Pentyl]-2-[[2-(4-Hydroxy-1H-Indol-3-Yl)Acetyl]Amino]Butanediamide
[CAS# 111944-83-3]

Identification

• Name: (2S)-N-[5-[3-[3-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Amino]Propylamino]Propylamino]Pentyl]-2-[[2-(4-Hydroxy-1H-Indol-3-Yl)Acetyl]Amino]Butanediamide
• Synonyms: (2S)-N-[5-[3-[3-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]Propylamino]Propylamino]Pentyl]-2-[[2-(4-Hydroxy-1H-Indol-3-Yl)Acetyl]Amino]Butanediamide; (2S)-N-[5-[3-[3-[[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]Amino]Propylamino]Propylamino]Pentyl]-2-[[2-(4-Hydroxy-1H-Indol-3-Yl)-1-Oxoethyl]Amino]Butanediamide; (2S)-N-[5-[3-[3-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]Propylamino]Propylamino]Pentyl]-2-[[2-(4-Hydroxy-1H-Indol-3-Yl)Acetyl]Amino]Succinamide
• Molecular Formula: C₃₁H₅₃N₁₁O₅
• Molecular Weight: 659.83
• CAS Registry Number: 111944-83-3
• SMILES: [C@@H](NC(=O)CC1=C[NH]C2=C1C(=CC=C2)O)(C(=O)NCCCCCNCCCNCCCNC(=O)[C@@H](N)CCCN=C(N)N)CC(=O)N
• InChI: 1S/C31H53N11O5/c32-22(8-5-16-40-31(34)35)29(46)38-17-7-14-37-13-6-12-36-11-2-1-3-15-39-30(47)24(19-26(33)44)42-27(45)18-21-20-41-23-9-4-10-25(43)28(21)23/h4,9-10,20,22,24,36-37,41,43H,1-3,5-8,11-19,32H2,(H2,33,44)(H,38,46)(H,39,47)(H,42,45)(H4,34,35,40)/t22-,24-/m0/s1
• InChIKey: ONYMEUPDKAAGRV-UPVQGACJSA-N

Properties

• Density: 1.375g/cm³ (Cal.)