2-[1-[(3R)-3-[(4-carbamimidoylphenyl)carbonylamino]-4-methyl-pentanoyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[(3R)-3-[(4-carbamimidoylphenyl)carbonylamino]-4-methyl-pentanoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[(3R)-3-[(4-carbamimidoylbenzoyl)amino]-4-methyl-pentanoyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[(3R)-3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-4-methyl-1-oxopentyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[(3R)-3-[(4-carbamimidoylbenzoyl)amino]-4-methylpentanoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[(3R)-3-[(4-amidinobenzoyl)amino]-4-methyl-pentanoyl]-4-piperidyl]acetic acid Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)N1CCC(CC1)CC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C)[C@@H](CC(=O)N1CCC(CC1)CC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H30N4O4/c1-13(2)17(24-21(29)16-5-3-15(4-6-16)20(22)23)12-18(26)25-9-7-14(8-10-25)11-19(27)28/h3-6,13-14,17H,7-12H2,1-2H3,(H3,22,23)(H,24,29)(H,27,28)/t17-/m1/s1