3-[[1-[4-(Diaminomethylideneamino)Butylamino]-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]Carbamoyl]Oxirane-2-Carboxylic Acid
[CAS# 106396-24-1]

Identification

• Name: 3-[[1-[4-(Diaminomethylideneamino)Butylamino]-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]Carbamoyl]Oxirane-2-Carboxylic Acid
• Synonyms: 3-[[2-(4-Guanidinobutylamino)-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Carbamoyl]Oxirane-2-Carboxylic Acid; 3-[[[2-(4-Guanidinobutylamino)-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-Oxomethyl]-2-Oxiranecarboxylic Acid; 3-[[2-(4-Guanidinobutylamino)-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Carbamoyl]Oxirane-2-Carboxylic Acid
• Molecular Formula: C₁₈H₂₅N₅O₆
• Molecular Weight: 407.43
• CAS Registry Number: 106396-24-1
• SMILES: C2=C(CC(NC(=O)C1OC1C(O)=O)C(=O)NCCCCN=C(N)N)C=CC(=C2)O
• InChI: 1S/C18H25N5O6/c19-18(20)22-8-2-1-7-21-15(25)12(9-10-3-5-11(24)6-4-10)23-16(26)13-14(29-13)17(27)28/h3-6,12-14,24H,1-2,7-9H2,(H,21,25)(H,23,26)(H,27,28)(H4,19,20,22)
• InChIKey: IVRMXEFFYRZNCU-UHFFFAOYSA-N

Properties

• Density: 1.533g/cm³ (Cal.)