[N'-[(4S,5E)-4-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-(aminocarbonylhydrazinylidene)pentyl]carbamimidoyl]azanium chloride

Systemtic Name: [N'-[(4S,5E)-4-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-(aminocarbonylhydrazinylidene)pentyl]carbamimidoyl]azanium chloride Openeye Name: [N'-[(4S,5E)-4-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-(carbamoylhydrazono)pentyl]carbamimidoyl]ammonium chloride CAS Name: [[(4S,5E)-4-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-5-(carbamoylhydrazinylidene)pentyl]imino-aminomethyl]ammonium chloride IUPAC Name: [N'-[(4S,5E)-4-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-(carbamoylhydrazinylidene)pentyl]carbamimidoyl]azanium chloride Traditional Name: [N'-[(4S,5E)-4-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-semicarbazono-pentyl]amidino]ammonium chloride Formula: C20H40ClN9O4 MolecularWeight: 507.035155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CCCN=C([NH3+])N)C=NNC(=O)N)NC(=O)C.[Cl-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C([NH3+])N)/[13CH]=N/NC(=O)N)NC(=O)C.[Cl-]

InChI

InChI=1S/C20H39N9O4.ClH/c1-11(2)9-15(26-13(5)30)17(31)28-16(12(3)4)18(32)27-14(10-25-29-20(23)33)7-6-8-24-19(21)22;/h10-12,14-16H,6-9H2,1-5H3,(H,26,30)(H,27,32)(H,28,31)(H4,21,22,24)(H3,23,29,33);1H/b25-10+;/t14-,15-,16-;/m0./s1/i10+1;