(4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(2S)-3-carboxy-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

About This Item

Molecular Formula	C₁₄H₂₂N₄O₉
CAS Number	307297-39-8

FC-0345158

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Properties

Chemical Identifiers

IUPAC Name	(4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(2S)-3-carboxy-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SMILES	CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)O)N
InChI Key	HGHOBRRUMWJWCU-FXQIFTODSA-N
InChI	InChI=1S/C14H22N4O9/c1-6(15)12(25)17-7(2-3-9(19)20)14(27)18-8(4-10(21)22)13(26)16-5-11(23)24/h6-8H,2-5,15H2,1H3,(H,16,26)(H,17,25)(H,18,27)(H,19,20)(H,21,22)(H,23,24)/t6-,7-,8-/m0/s1

Physical Properties

Boiling Point	959.8±65.0 °C at 760 mmHg
Flash Point	534.3±34.3 °C
Density	1.5±0.1 g/cm3

Safety Information

Flash Point

534.3±34.3 °C

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.