N-{5-[(3-Amino-3-Iminopropyl)Carbamoyl]-1-Methyl-1H-Pyrrol-3-Yl}-4-[(N-Carbamimidoylglycyl)Amino]-1-Methyl-1H-Pyrrole-2-Carboxamide
[CAS# 18133-22-7]

Identification

• Name: N-{5-[(3-Amino-3-Iminopropyl)Carbamoyl]-1-Methyl-1H-Pyrrol-3-Yl}-4-[(N-Carbamimidoylglycyl)Amino]-1-Methyl-1H-Pyrrole-2-Carboxamide
• Synonyms: 2814-A; 2N-(3-amino-3-iminopropyl)-4-[4-amino(imino)methylaminomethylcarboxamido-1-methyl-1H-2-pyrrolylcarboxamido]-1-methyl-1H-2-pyrrolecarboxamide; 2N-(3-amino-3-iminopropyl)-4-[4-amino(imino)methylaminomethylcarboxamido-1-methyl-1H-2-pyrrolylcarboxamido]-1-methyl-1H-2-pyrrolecarboxamide(netropsin)
• Molecular Formula: C₁₈H₂₆N₁₀O₃
• Molecular Weight: 430.46
• CAS Registry Number: 18133-22-7
• SMILES: CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CNC(=N)N
• InChI: 1S/C18H26N10O3/c1-27-9-11(6-12(27)16(30)23-4-3-14(19)20)26-17(31)13-5-10(8-28(13)2)25-15(29)7-24-18(21)22/h5-6,8-9H,3-4,7H2,1-2H3,(H3,19,20)(H,23,30)(H,25,29)(H,26,31)(H4,21,22,24)
• InChIKey: IDBIFFKSXLYUOT-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Refractive index: 1.709 (Cal.)