Compound: Netropsin
SMILES: O=C(Nc1cn(C)c(c1)C(=O)NCCC(=N)N)c2n(cc(c2)NC(=O)CN=C(N)N)C
InChIKey: IDBIFFKSXLYUOT-UHFFFAOYSA-N
Synonyms: Netropsin, 1438-30-8, Congocidine, Sinanomycin, 64B3O0RD7N, T-1384, DTXSID00879834, NSC-3067, 1H-Pyrrole-2-carboxamide, 4-((((aminoiminomethyl)amino)acetyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-, N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carboxamide, Hydrochloride, Netropsin, N-(5-((3-amino-3-iminopropyl)carbamoyl)-1-methylpyrrol-3-yl)-4-((2-(diaminomethylideneamino)acetyl)amino)-1-methylpyrrole-2-carboxamide, RefChem:389142, DTXCID00831033, N-(5-((3-amino-3-iminopropyl)carbamoyl)-1-methylpyrrol-3-yl)-4-((2-(diaminomethylideneamino)acetyl)amino)-1-methylpyrrole-2-carboxamide;dihydrochloride, Antibiotic 1142, Congocidin, Antibiotic T-1384, CHEMBL307767, NSC275885, 18133-22-7, CH-777-A, NSC 3067, BRN 0376913, NETROPSIN [MI], BDBM17, 2814-A, T 1384, UNII-64B3O0RD7N, n-{5-[(3-amino-3-iminopropyl)carbamoyl]-1-methyl-1h-pyrrol-3-yl}-4-[(n-carbamimidoylglycyl)amino]-1-methyl-1h-pyrrole-2-carboxamide, SCHEMBL197747, orb1705040, SCHEMBL24312520, IDBIFFKSXLYUOT-UHFFFAOYSA-N, HY-N6800, BDBM50055660, HSCI1_000283, AKOS040744856, F 6, N,4'-Bi(pyrrole-2-carboxamide), N'-(2-carbamoylethyl)-4-((2-guanidinoacetimidoyl)amino)-1,1'-dimethyl-, N-(3-amino-3-iminopropyl)-4-(4-(2-guanidinoacetamido)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxamide, NCI60_002614, NS00011813, 4-22-00-06712 (Beilstein Handbook Reference), Q3874969, 1-amino-3-(4-(4-(2-(amino(iminio)methylamino)acetamido)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxamido)propan-1-iminium, 1H-Pyrrole-2-carboxamide, 4-[[2-[(aminoiminomethyl)amino]acetyl]amino]-N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-, 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), 4-((((AMINOIMINOMETHYL)AMINO)ACETYL)AMINO)-N-(5-(((3-AMINO-3-IMINOPROPYL)AMINO)CARBONYL)-1-METHYL-1H-PYRROL-3-YL)-1-METHYL-1H-PYRROLE-2-CARBOXAMIDE, 4-({N-[amino(imino)methyl]glycyl}amino)-N-(5-{[(3-amino-3-iminopropyl)amino]carbonyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-pyrrole-2-carboxamide, 4-(2-carbamimidamidoacetamido)-N-{5-[(2-carbamimidoylethyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}-1-methyl-1H-pyrrole-2-carboxamide, 4-(2-Guanidino-acetylamino)-1-methyl-1H-pyrrole-2-carboxylic acid [5-(2-carbamimidoyl-ethylcarbamoyl)-1-methyl-2,3-dihydro-1H-pyrrol-3-yl]-amide, N'-(2-AMIDINOETHYL)-4-(2-GUANIDINOACETAMIDO)-1,1'-DIMETHYL-N,4'-BI(PYRROLE-2-CARBOXAMIDE), N-(5-{[(3Z)-3-amino-3-iminopropyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-4-[(N-carbamimidoylglycyl)amino]-1-methyl-1H-pyrrole-2-carboxamide, N-[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-4-[(2-guanidinoacetyl)amino]-1-methyl-pyrrole-2-carboxamide
Theoretical properties:
molecular_formula: C18H26N10O3
molecular_weight: 430.5 g/mol
exact_mass: 430.21893473 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 7
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 9
heavy_atom_count: 31
topological_polar_surface_area: 211 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: NETROPSIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Netropsin (also termed congocidine or sinanomycin) is a polyamide with antibiotic and antiviral activity. Netropsin was discovered by Finlay et al., and first isolated from the actinobacterium Streptomyces netropsis. It belongs to the class of pyrrole-amidine antibiotics.