(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-acetamido-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]hexyl]amino]hexanoyl]amino]-N-[(1S)-1-carbamoyl-4-guanidino-butyl]pentanediamide
[CAS# 125552-93-4]

Identification

• Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-acetamido-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]hexyl]amino]hexanoyl]amino]-N-[(1S)-1-carbamoyl-4-guanidino-butyl]pentanediamide
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-Acetamido-3-Hydroxy-Butanoyl]Amino]-3-Methyl-Pentanoyl]Amino]Hexyl]Amino]Hexanoyl]Amino]-N-[(1S)-1-Carbamoyl-4-Guanidino-Butyl]Pentanediamide; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-Acetamido-3-Hydroxy-1-Oxobutyl]Amino]-3-Methyl-1-Oxopentyl]Amino]Hexyl]Amino]-1-Oxohexyl]Amino]-N-[(1S)-1-Carbamoyl-4-Guanidinobutyl]Pentanediamide; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-Acetamido-3-Hydroxy-Butanoyl]Amino]-3-Methyl-Pentanoyl]Amino]Hexyl]Amino]Hexanoyl]Amino]-N-[(1S)-1-Carbamoyl-4-Guanidino-Butyl]Glutaramide
• Molecular Formula: C₃₅H₆₇N₁₁O₈
• Molecular Weight: 769.98
• CAS Registry Number: 125552-93-4
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)[C@H](O)C)[C@H](CC)C)(CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)CCCC
• InChI: 1S/C35H67N11O8/c1-7-10-13-23(43-33(53)28(20(4)9-3)46-34(54)29(21(5)47)42-22(6)48)19-41-25(14-11-8-2)31(51)45-26(16-17-27(36)49)32(52)44-24(30(37)50)15-12-18-40-35(38)39/h20-21,23-26,28-29,41,47H,7-19H2,1-6H3,(H2,36,49)(H2,37,50)(H,42,48)(H,43,53)(H,44,52)(H,45,51)(H,46,54)(H4,38,39,40)/t20-,21+,23-,24-,25-,26-,28-,29-/m0/s1
• InChIKey: MQPXOVRKKPPKFZ-QYKDHROSSA-N

Properties

• Density: 1.311g/cm³ (Cal.)