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

Systemtic Name: 3-(5-carbamimidoyl-1H-indol-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid Openeye Name: 3-(5-carbamimidoyl-1H-indol-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid CAS Name: 3-(5-carbamimidoyl-1H-indol-2-yl)-2-[4-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1H-indol-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid Traditional Name: 2-[4-[(3S)-1-acetimidoylpyrrolidin-3-yl]oxyphenyl]-3-(5-amidino-1H-indol-2-yl)propionic acid Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(N3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(=N)N1CC[C@@H](C1)OC2=CC=C(C=C2)C(CC3=CC4=C(N3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C24H27N5O3/c1-14(25)29-9-8-20(13-29)32-19-5-2-15(3-6-19)21(24(30)31)12-18-11-17-10-16(23(26)27)4-7-22(17)28-18/h2-7,10-11,20-21,25,28H,8-9,12-13H2,1H3,(H3,26,27)(H,30,31)/t20-,21?/m0/s1