[N'-[(4S)-4-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentyl]carbamimidoyl]azanium chloride

Systemtic Name: [N'-[(4S)-4-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentyl]carbamimidoyl]azanium chloride Openeye Name: [N'-[(4S)-4-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]propanoyl]amino]-5-oxo-pentyl]carbamimidoyl]ammonium chloride CAS Name: [[(4S)-4-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-5-oxopentyl]imino-aminomethyl]ammonium chloride IUPAC Name: [N'-[(4S)-4-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]propanoyl]amino]-5-oxopentyl]carbamimidoyl]azanium chloride Traditional Name: [N'-[(4S)-4-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]propanoyl]amino]-5-keto-pentyl]amidino]ammonium chloride Formula: C17H33ClN6O4 MolecularWeight: 421.927375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H32N6O4.ClH/c1-10(2)8-14(22-12(4)25)16(27)21-11(3)15(26)23-13(9-24)6-5-7-20-17(18)19;/h9-11,13-14H,5-8H2,1-4H3,(H,21,27)(H,22,25)(H,23,26)(H4,18,19,20);1H/t11-,13-,14-;/m0./s1/i9+1;