3-[[1-[4-(Diaminomethylideneamino)Butylamino]-1-Oxo-3-Phenylpropan-2-Yl]Carbamoyl]Oxirane-2-Carboxylic Acid
[CAS# 106455-06-5]

Identification

• Name: 3-[[1-[4-(Diaminomethylideneamino)Butylamino]-1-Oxo-3-Phenylpropan-2-Yl]Carbamoyl]Oxirane-2-Carboxylic Acid
• Synonyms: 3-[[2-(4-Guanidinobutylamino)-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]Oxirane-2-Carboxylic Acid; 3-[[[2-(4-Guanidinobutylamino)-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-2-Oxiranecarboxylic Acid; 3-[[1-(Benzyl)-2-(4-Guanidinobutylamino)-2-Keto-Ethyl]Carbamoyl]Oxirane-2-Carboxylic Acid
• Molecular Formula: C₁₈H₂₅N₅O₅
• Molecular Weight: 391.43
• CAS Registry Number: 106455-06-5
• SMILES: C2=C(CC(NC(=O)C1OC1C(O)=O)C(=O)NCCCCN=C(N)N)C=CC=C2
• InChI: 1S/C18H25N5O5/c19-18(20)22-9-5-4-8-21-15(24)12(10-11-6-2-1-3-7-11)23-16(25)13-14(28-13)17(26)27/h1-3,6-7,12-14H,4-5,8-10H2,(H,21,24)(H,23,25)(H,26,27)(H4,19,20,22)
• InChIKey: CDANUSUTFSNLOG-UHFFFAOYSA-N

Properties

• Density: 1.458g/cm³ (Cal.)