(2S)-3-[7-carbamimidoyl-4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxy-naphthalen-2-yl]-2-phenyl-propanoic acid

Systemtic Name: (2S)-3-[7-carbamimidoyl-4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxy-naphthalen-2-yl]-2-phenyl-propanoic acid Openeye Name: (2S)-3-[7-carbamimidoyl-4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxy-2-naphthyl]-2-phenyl-propanoic acid CAS Name: (2S)-3-[7-carbamimidoyl-4-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]oxy]-2-naphthalenyl]-2-phenylpropanoic acid IUPAC Name: (2S)-3-[7-carbamimidoyl-4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxynaphthalen-2-yl]-2-phenylpropanoic acid Traditional Name: (2S)-3-[4-[(3S)-1-acetimidoylpyrrolidin-3-yl]oxy-7-amidino-2-naphthyl]-2-phenyl-propionic acid Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(C1)OC2=C3C=CC(=CC3=CC(=C2)CC(C4=CC=CC=C4)C(=O)O)C(=N)N

Isomeric SMILES

CC(=N)N1CC[C@@H](C1)OC2=C3C=CC(=CC3=CC(=C2)C[C@@H](C4=CC=CC=C4)C(=O)O)C(=N)N

InChI

InChI=1S/C26H28N4O3/c1-16(27)30-10-9-21(15-30)33-24-13-17(11-20-14-19(25(28)29)7-8-22(20)24)12-23(26(31)32)18-5-3-2-4-6-18/h2-8,11,13-14,21,23,27H,9-10,12,15H2,1H3,(H3,28,29)(H,31,32)/t21-,23-/m0/s1