3-(5-carbamimidoyl-1H-indol-2-yl)-2-[4-[(3S)-oxolan-3-yl]oxyphenyl]propanoic acid

Systemtic Name: 3-(5-carbamimidoyl-1H-indol-2-yl)-2-[4-[(3S)-oxolan-3-yl]oxyphenyl]propanoic acid Openeye Name: 3-(5-carbamimidoyl-1H-indol-2-yl)-2-[4-[(3S)-tetrahydrofuran-3-yl]oxyphenyl]propanoic acid CAS Name: 3-(5-carbamimidoyl-1H-indol-2-yl)-2-[4-[[(3S)-3-oxolanyl]oxy]phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1H-indol-2-yl)-2-[4-[(3S)-oxolan-3-yl]oxyphenyl]propanoic acid Traditional Name: 3-(5-amidino-1H-indol-2-yl)-2-[4-[(3S)-tetrahydrofuran-3-yl]oxyphenyl]propionic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1OC2=CC=C(C=C2)C(CC3=CC4=C(N3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1COC[C@H]1OC2=CC=C(C=C2)C(CC3=CC4=C(N3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C22H23N3O4/c23-21(24)14-3-6-20-15(9-14)10-16(25-20)11-19(22(26)27)13-1-4-17(5-2-13)29-18-7-8-28-12-18/h1-6,9-10,18-19,25H,7-8,11-12H2,(H3,23,24)(H,26,27)/t18-,19?/m0/s1