N-(2,4-Dihydroxyphenylacetyl-L-asparaginyl)-N'-(N-(L-arginyl-glycyl-L-alanyl)-8-amino-4-azaoctanoyl)-1,5-pentanediamine
[CAS# 129121-68-2]

Identification

• Name: N-(2,4-Dihydroxyphenylacetyl-L-asparaginyl)-N'-(N-(L-arginyl-glycyl-L-alanyl)-8-amino-4-azaoctanoyl)-1,5-pentanediamine
• Synonyms: (2S)-N-[5-[3-[4-[[(1S)-2-[[2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]Acetyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]Butylamino]Propanoylamino]Pentyl]-2-[[2-(2,4-Dihydroxyphenyl)Acetyl]Amino]Butanediamide; (2S)-N-[5-[[3-[4-[[(1S)-2-[[2-[[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]Amino]-1-Oxoethyl]Amino]-1-Methyl-2-Oxoethyl]Amino]Butylamino]-1-Oxopropyl]Amino]Pentyl]-2-[[2-(2,4-Dihydroxyphenyl)-1-Oxoethyl]Amino]Butanediamide; (2S)-N-[5-[3-[4-[[(1S)-2-[[2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]Acetyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]Butylamino]Propanoylamino]Pentyl]-2-[[2-(2,4-Dihydroxyphenyl)Acetyl]Amino]Succinamide
• Molecular Formula: C₃₅H₆₀N₁₂O₉
• Molecular Weight: 792.93
• CAS Registry Number: 129121-68-2
• SMILES: [C@H](NCCCCNCCC(=O)NCCCCCNC(=O)[C@@H](NC(=O)CC1=C(O)C=C(O)C=C1)CC(=O)N)(C)C(=O)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N
• InChI: 1S/C35H60N12O9/c1-22(32(54)47-31(53)21-45-33(55)25(36)8-7-16-44-35(38)39)41-13-6-5-12-40-17-11-29(51)42-14-3-2-4-15-43-34(56)26(20-28(37)50)46-30(52)18-23-9-10-24(48)19-27(23)49/h9-10,19,22,25-26,40-41,48-49H,2-8,11-18,20-21,36H2,1H3,(H2,37,50)(H,42,51)(H,43,56)(H,45,55)(H,46,52)(H4,38,39,44)(H,47,53,54)/t22-,25-,26-/m0/s1
• InChIKey: VRIUOZAEZDNGTN-HRNNMHKYSA-N

Properties

• Density: 1.404g/cm³ (Cal.)