2-[2-(2-azanylpropanoyl)-1-(4-carbamimidoylphenyl)carbonyl-2,3-dimethyl-3-phenyl-piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[2-(2-azanylpropanoyl)-1-(4-carbamimidoylphenyl)carbonyl-2,3-dimethyl-3-phenyl-piperidin-4-yl]ethanoic acid Openeye Name: 2-[2-(2-aminopropanoyl)-1-(4-carbamimidoylbenzoyl)-2,3-dimethyl-3-phenyl-4-piperidyl]acetic acid CAS Name: 2-[2-(2-amino-1-oxopropyl)-1-[(4-carbamimidoylphenyl)-oxomethyl]-2,3-dimethyl-3-phenyl-4-piperidinyl]acetic acid IUPAC Name: 2-[2-(2-aminopropanoyl)-1-(4-carbamimidoylbenzoyl)-2,3-dimethyl-3-phenylpiperidin-4-yl]acetic acid Traditional Name: 2-[2-alanyl-1-(4-amidinobenzoyl)-2,3-dimethyl-3-phenyl-4-piperidyl]acetic acid Formula: C26H32N4O4 MolecularWeight: 464.55668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1(C(C(CCN1C(=O)C2=CC=C(C=C2)C(=N)N)CC(=O)O)(C)C3=CC=CC=C3)C)N

Isomeric SMILES

CC(C(=O)C1(C(C(CCN1C(=O)C2=CC=C(C=C2)C(=N)N)CC(=O)O)(C)C3=CC=CC=C3)C)N

InChI

InChI=1S/C26H32N4O4/c1-16(27)22(33)26(3)25(2,19-7-5-4-6-8-19)20(15-21(31)32)13-14-30(26)24(34)18-11-9-17(10-12-18)23(28)29/h4-12,16,20H,13-15,27H2,1-3H3,(H3,28,29)(H,31,32)