2-[1-[(3S)-3-[(4-carbamimidoylphenyl)carbonylamino]-4-oxidanylidene-4-phenoxy-butanoyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[(3S)-3-[(4-carbamimidoylphenyl)carbonylamino]-4-oxidanylidene-4-phenoxy-butanoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[(3S)-3-[(4-carbamimidoylbenzoyl)amino]-4-oxo-4-phenoxy-butanoyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[(3S)-3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1,4-dioxo-4-phenoxybutyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[(3S)-3-[(4-carbamimidoylbenzoyl)amino]-4-oxo-4-phenoxybutanoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[(3S)-3-[(4-amidinobenzoyl)amino]-4-keto-4-phenoxy-butanoyl]-4-piperidyl]acetic acid Formula: C25H28N4O6 MolecularWeight: 480.51302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)O)C(=O)CC(C(=O)OC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1CC(=O)O)C(=O)C[C@@H](C(=O)OC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H28N4O6/c26-23(27)17-6-8-18(9-7-17)24(33)28-20(25(34)35-19-4-2-1-3-5-19)15-21(30)29-12-10-16(11-13-29)14-22(31)32/h1-9,16,20H,10-15H2,(H3,26,27)(H,28,33)(H,31,32)/t20-/m0/s1