IUPAC Name
(4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-3-(4-nitroanilino)-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Synonyms
Ac-DEVD-pNA; N-acetyl-L-alpha-aspartyl-L-alpha-glutamyl-L-valyl-N4-(4-nitrophenyl)-L-asparagine; L-α-Asparagine, N-acetyl-L-α-aspartyl-L-α-glutamyl-L-valyl-N-(4-nitrophenyl)-; (2S,5S,8S,11S)-8-(2-carboxyethyl)-11-(carboxymethyl)-5-isopropyl-2-(2-((4-nitrophenyl)amino)-2-oxoethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecan-1-oic acid
Density
1.448±0.06 g/cm3 (Predicted)
Boiling Point
1187.0±65.0°C (Predicted)
Sequence
Ac-Asp-Glu-Val-Asn(Ph(4-NO2))-OH
Solubility
Soluble in Acetonitrile, DMSO, Methanol, Water
InChI
InChI=1S/C26H34N6O13/c1-12(2)22(25(41)30-18(26(42)43)10-19(34)28-14-4-6-15(7-5-14)32(44)45)31-23(39)16(8-9-20(35)36)29-24(40)17(11-21(37)38)27-13(3)33/h4-7,12,16-18,22H,8-11H2,1-3H3,(H,27,33)(H,28,34)(H,29,40)(H,30,41)(H,31,39)(H,35,36)(H,37,38)(H,42,43)/t16-,17-,18-,22-/m0/s1
InChI Key
DAOMBBSDYYRHPX-ORGXJRBJSA-N
Canonical SMILES
CC(C)C(C(=O)NC(CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C
