(3S)-3-(7-carbamimidoylnaphthalen-2-yl)-3-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=N)N1CC[C@@H](C1)OC2=CC=C(C=C2)[C@H](CC(=O)O)C3=CC4=C(C=C3)C=CC(=C4)C(=N)N

InChI

InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-18(7-9-22)24(14-25(31)32)19-4-2-17-3-5-20(26(28)29)13-21(17)12-19/h2-9,12-13,23-24,27H,10-11,14-15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1