(2S)-2-acetamido-N-[(2S)-1-[[(1E,2S)-1-(aminocarbonylhydrazinylidene)-5-[bis(azanyl)methylideneamino]pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-pentanamide

Systemtic Name: (2S)-2-acetamido-N-[(2S)-1-[[(1E,2S)-1-(aminocarbonylhydrazinylidene)-5-[bis(azanyl)methylideneamino]pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-pentanamide Openeye Name: (2S)-2-acetamido-N-[(1S)-1-[[(1S)-1-[(E)-(carbamoylhydrazono)methyl]-4-guanidino-butyl]carbamoyl]-2-methyl-propyl]-4-methyl-pentanamide CAS Name: (2S)-2-acetamido-N-[(2S)-1-[[(1E,2S)-1-(carbamoylhydrazinylidene)-5-(diaminomethylideneamino)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide IUPAC Name: (2S)-2-acetamido-N-[(2S)-1-[[(1E,2S)-1-(carbamoylhydrazinylidene)-5-(diaminomethylideneamino)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide Traditional Name: (2S)-2-acetamido-N-[(1S)-1-[[(1S)-4-guanidino-1-[(E)-semicarbazonomethyl]butyl]carbamoyl]-2-methyl-propyl]-4-methyl-valeramide Formula: C20H39N9O4 MolecularWeight: 470.574215

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CCCN=C(N)N)C=NNC(=O)N)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)/[13CH]=N/NC(=O)N)NC(=O)C

InChI

InChI=1S/C20H39N9O4/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)/b25-10+/t14-,15-,16-/m0/s1/i10+1