2-[1-[(2S)-5-azanyl-2-[(4-carbamimidoylphenyl)carbonylamino]pentanoyl]piperidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[1-[(2S)-5-azanyl-2-[(4-carbamimidoylphenyl)carbonylamino]pentanoyl]piperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[1-[(2S)-5-amino-2-[(4-carbamimidoylbenzoyl)amino]pentanoyl]-4-piperidyl]oxy]acetic acid CAS Name: 2-[[1-[(2S)-5-amino-2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopentyl]-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[1-[(2S)-5-amino-2-[(4-carbamimidoylbenzoyl)amino]pentanoyl]piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[1-[(2S)-2-[(4-amidinobenzoyl)amino]-5-amino-pentanoyl]-4-piperidyl]oxy]acetic acid Formula: C20H29N5O5 MolecularWeight: 419.47476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC(=O)O)C(=O)C(CCCN)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1CN(CCC1OCC(=O)O)C(=O)[C@H](CCCN)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H29N5O5/c21-9-1-2-16(24-19(28)14-5-3-13(4-6-14)18(22)23)20(29)25-10-7-15(8-11-25)30-12-17(26)27/h3-6,15-16H,1-2,7-12,21H2,(H3,22,23)(H,24,28)(H,26,27)/t16-/m0/s1