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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H36N6O4/c1-10(2)9-14(24-17(28)15(11(3)4)22-12(5)26)16(27)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,23,27)(H,24,28)/t13-,14-,15-,18?/m0/s1