(2S)-N-[5-[3-[4-(3-aminopropylamino)butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide

About This Item

Molecular Formula	C₂₇H₄₇N₇O₆
CAS Number	112163-33-4

FC-0852934

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Properties

Chemical Identifiers

IUPAC Name	(2S)-N-[5-[3-[4-(3-aminopropylamino)butylamino]propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide
SMILES	C1=CC(=C(C=C1O)O)CC(=O)NC(CC(=O)N)C(=O)NCCCCCNC(=O)CCNCCCCNCCCN
InChI Key	SJLRBGDPTALRDM-QFIPXVFZSA-N
InChI	InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1

Physical Properties

Boiling Point	979.9ºC at 760mmHg
Flash Point	546.4ºC
Density	1.195g/cm3

Safety Information

Hazard Class

Danger

Flash Point

546.4ºC

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.