2-[[2-[2-[(1-carbamimidoylpiperidin-4-yl)carbonylamino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[2-[(1-carbamimidoylpiperidin-4-yl)carbonylamino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[[2-[(1-carbamimidoylpiperidine-4-carbonyl)amino]acetyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[2-[[(1-carbamimidoyl-4-piperidinyl)-oxomethyl]amino]-1-oxoethyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[[2-[(1-carbamimidoylpiperidine-4-carbonyl)amino]acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[[2-[(1-amidinoisonipecotoyl)amino]acetyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-butyric acid Formula: C18H30N6O7 MolecularWeight: 442.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C1CCN(CC1)C(=N)N

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C1CCN(CC1)C(=N)N

InChI

InChI=1S/C18H30N6O7/c1-9(2)14(17(30)31)23-16(29)11(7-13(26)27)22-12(25)8-21-15(28)10-3-5-24(6-4-10)18(19)20/h9-11,14H,3-8H2,1-2H3,(H3,19,20)(H,21,28)(H,22,25)(H,23,29)(H,26,27)(H,30,31)