N-(5-(((3-Amino-3-Iminopropyl)Amino)Carbonyl)-1-Propyl-1H-Pyrrol-3-Yl)-4-(((4-(Formylamino)-1-Propyl-1H-Pyrrol-2-Yl)Carbonyl)Amino)-1-Propyl-1H-Pyrrole-2-Carboxamide
[CAS# 54954-78-8]

Identification

• Name: N-(5-(((3-Amino-3-Iminopropyl)Amino)Carbonyl)-1-Propyl-1H-Pyrrol-3-Yl)-4-(((4-(Formylamino)-1-Propyl-1H-Pyrrol-2-Yl)Carbonyl)Amino)-1-Propyl-1H-Pyrrole-2-Carboxamide
• Synonyms: N-[5-[(3-Amino-3-Imino-Propyl)Carbamoyl]-1-Propyl-Pyrrol-3-Yl]-4-[(4-Formamido-1-Propyl-Pyrrole-2-Carbonyl)Amino]-1-Propyl-Pyrrole-2-Carboxamide; N-[5-[[(3-Amino-3-Iminopropyl)Amino]-Oxomethyl]-1-Propyl-3-Pyrrolyl]-4-[[(4-Formamido-1-Propyl-2-Pyrrolyl)-Oxomethyl]Amino]-1-Propyl-2-Pyrrolecarboxamide; N-[5-[(3-Amino-3-Imino-Propyl)Carbamoyl]-1-Propyl-Pyrrol-3-Yl]-4-[(4-Formamido-1-Propyl-Pyrrol-2-Yl)Carbonylamino]-1-Propyl-Pyrrole-2-Carboxamide
• Molecular Formula: C₂₈H₃₉N₉O₄
• Molecular Weight: 565.67
• CAS Registry Number: 54954-78-8
• SMILES: C1=C([N](C=C1NC(=O)C2=CC(=C[N]2CCC)NC=O)CCC)C(=O)NC3=C[N](C(=C3)C(=O)NCCC(=N)N)CCC
• InChI: 1S/C28H39N9O4/c1-4-9-35-15-19(32-18-38)12-23(35)27(40)34-21-14-24(37(17-21)11-6-3)28(41)33-20-13-22(36(16-20)10-5-2)26(39)31-8-7-25(29)30/h12-18H,4-11H2,1-3H3,(H3,29,30)(H,31,39)(H,32,38)(H,33,41)(H,34,40)
• InChIKey: BUWCRUSFJONIGF-UHFFFAOYSA-N

Properties

• Density: 1.321g/cm³ (Cal.)