2-azanyl-2-methyl-3-[1-[N'-(phenylcarbonyl)carbamimidoyl]-2,3-dihydroindol-5-yl]propanoic acid

Systemtic Name: 2-azanyl-2-methyl-3-[1-[N'-(phenylcarbonyl)carbamimidoyl]-2,3-dihydroindol-5-yl]propanoic acid Openeye Name: 2-amino-3-[1-(N'-benzoylcarbamimidoyl)indolin-5-yl]-2-methyl-propanoic acid CAS Name: 2-amino-3-[1-[amino(benzoylimino)methyl]-2,3-dihydroindol-5-yl]-2-methylpropanoic acid IUPAC Name: 2-amino-3-[1-(N'-benzoylcarbamimidoyl)-2,3-dihydroindol-5-yl]-2-methylpropanoic acid Traditional Name: 2-amino-3-[1-(N'-benzoylamidino)indolin-5-yl]-2-methyl-propionic acid Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)N(CC2)C(=NC(=O)C3=CC=CC=C3)N)(C(=O)O)N

Isomeric SMILES

CC(CC1=CC2=C(C=C1)N(CC2)C(=NC(=O)C3=CC=CC=C3)N)(C(=O)O)N

InChI

InChI=1S/C20H22N4O3/c1-20(22,18(26)27)12-13-7-8-16-15(11-13)9-10-24(16)19(21)23-17(25)14-5-3-2-4-6-14/h2-8,11H,9-10,12,22H2,1H3,(H,26,27)(H2,21,23,25)