3-(6-carbamimidoylnaphthalen-2-yl)-2-[4-[1-(ethanoylcarbamoyl)pyrrolidin-3-yl]oxyphenyl]propanoic acid

Systemtic Name: 3-(6-carbamimidoylnaphthalen-2-yl)-2-[4-[1-(ethanoylcarbamoyl)pyrrolidin-3-yl]oxyphenyl]propanoic acid Openeye Name: 2-[4-[1-(acetylcarbamoyl)pyrrolidin-3-yl]oxyphenyl]-3-(6-carbamimidoyl-2-naphthyl)propanoic acid CAS Name: 2-[4-[[1-[acetamido(oxo)methyl]-3-pyrrolidinyl]oxy]phenyl]-3-(6-carbamimidoyl-2-naphthalenyl)propanoic acid IUPAC Name: 2-[4-[1-(acetylcarbamoyl)pyrrolidin-3-yl]oxyphenyl]-3-(6-carbamimidoylnaphthalen-2-yl)propanoic acid Traditional Name: 2-[4-[1-(acetylcarbamoyl)pyrrolidin-3-yl]oxyphenyl]-3-(6-amidino-2-naphthyl)propionic acid Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=O)N1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(=O)NC(=O)N1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C27H28N4O5/c1-16(32)30-27(35)31-11-10-23(15-31)36-22-8-6-18(7-9-22)24(26(33)34)13-17-2-3-20-14-21(25(28)29)5-4-19(20)12-17/h2-9,12,14,23-24H,10-11,13,15H2,1H3,(H3,28,29)(H,33,34)(H,30,32,35)