3-[[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-propan-2-yl-benzimidazol-5-yl]amino]propanoic acid

Systemtic Name: 3-[[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-propan-2-yl-benzimidazol-5-yl]amino]propanoic acid Openeye Name: 3-[[1-[(7-carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-isopropyl-benzimidazol-5-yl]amino]propanoic acid CAS Name: 3-[[1-[(7-carbamimidoyl-2-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-propan-2-yl-5-benzimidazolyl]amino]propanoic acid IUPAC Name: 3-[[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-propan-2-ylbenzimidazol-5-yl]amino]propanoic acid Traditional Name: 3-[[6-[(1-acetimidoyl-4-piperidyl)oxy]-1-[(7-amidino-2-naphthyl)methyl]-2-isopropyl-benzimidazol-5-yl]amino]propionic acid Formula: C32H39N7O3 MolecularWeight: 569.69716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC(=C(C=C2N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)OC5CCN(CC5)C(=N)C)NCCC(=O)O

Isomeric SMILES

CC(C)C1=NC2=CC(=C(C=C2N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)OC5CCN(CC5)C(=N)C)NCCC(=O)O

InChI

InChI=1S/C32H39N7O3/c1-19(2)32-37-26-16-27(36-11-8-30(40)41)29(42-25-9-12-38(13-10-25)20(3)33)17-28(26)39(32)18-21-4-5-22-6-7-23(31(34)35)15-24(22)14-21/h4-7,14-17,19,25,33,36H,8-13,18H2,1-3H3,(H3,34,35)(H,40,41)