(2S)-2-acetamido-N-[(2S)-1-[[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-pentanamide

Systemtic Name: (2S)-2-acetamido-N-[(2S)-1-[[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-pentanamide Openeye Name: (2S)-2-acetamido-N-[(1S)-1-[[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]carbamoyl]-2-methyl-propyl]-4-methyl-pentanamide CAS Name: (2S)-2-acetamido-N-[(2S)-1-[[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide IUPAC Name: (2S)-2-acetamido-N-[(2S)-1-[[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide Traditional Name: (2S)-2-acetamido-N-[(1S)-1-[[(3S)-1-amidino-2-hydroxy-3-piperidyl]carbamoyl]-2-methyl-propyl]-4-methyl-valeramide Formula: C19H36N6O4 MolecularWeight: 412.52694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC1CCCN(C1O)C(=N)N)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@H]1CCCN(C1O)C(=N)N)NC(=O)C

InChI

InChI=1S/C19H36N6O4/c1-10(2)9-14(22-12(5)26)16(27)24-15(11(3)4)17(28)23-13-7-6-8-25(18(13)29)19(20)21/h10-11,13-15,18,29H,6-9H2,1-5H3,(H3,20,21)(H,22,26)(H,23,28)(H,24,27)/t13-,14-,15-,18?/m0/s1