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

Systemtic Name: (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid hydrochloride Openeye Name: (2S)-3-(7-carbamimidoyl-2-naphthyl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid hydrochloride CAS Name: (2S)-3-(7-carbamimidoyl-2-naphthalenyl)-2-[4-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]propanoic acid hydrochloride IUPAC Name: (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid hydrochloride Traditional Name: (2S)-2-[4-[(3S)-1-acetimidoylpyrrolidin-3-yl]oxyphenyl]-3-(7-amidino-2-naphthyl)propionic acid hydrochloride Formula: C26H29ClN4O3 MolecularWeight: 480.98646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=N)N1CC[C@@H](C1)OC2=CC=C(C=C2)[C@H](CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O.Cl

InChI

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