N,N'-bis[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]propanediamide

Systemtic Name: N,N'-bis[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]propanediamide Openeye Name: N,N'-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]propanediamide CAS Name: N,N'-bis[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]propanediamide IUPAC Name: N,N'-bis[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]propanediamide Traditional Name: N,N'-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]malonamide Formula: C21H30N10O4 MolecularWeight: 486.5275

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)CC(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)CC(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C

InChI

InChI=1S/C21H30N10O4/c1-30-10-12(7-14(30)20(34)26-5-3-16(22)23)28-18(32)9-19(33)29-13-8-15(31(2)11-13)21(35)27-6-4-17(24)25/h7-8,10-11H,3-6,9H2,1-2H3,(H3,22,23)(H3,24,25)(H,26,34)(H,27,35)(H,28,32)(H,29,33)