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

Systemtic Name: 2-[1-[(3S)-3-[(4-carbamimidoylphenyl)carbonylamino]-4-cyclohexyloxy-4-oxidanylidene-butanoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[(3S)-3-[(4-carbamimidoylbenzoyl)amino]-4-(cyclohexoxy)-4-oxo-butanoyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[(3S)-3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-4-cyclohexyloxy-1,4-dioxobutyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[(3S)-3-[(4-carbamimidoylbenzoyl)amino]-4-cyclohexyloxy-4-oxobutanoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[(3S)-3-[(4-amidinobenzoyl)amino]-4-(cyclohexoxy)-4-keto-butanoyl]-4-piperidyl]acetic acid Formula: C25H34N4O6 MolecularWeight: 486.56066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(CC(=O)N2CCC(CC2)CC(=O)O)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CCC(CC1)OC(=O)[C@H](CC(=O)N2CCC(CC2)CC(=O)O)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H34N4O6/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/h6-9,16,19-20H,1-5,10-15H2,(H3,26,27)(H,28,33)(H,31,32)/t20-/m0/s1