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

Systemtic Name: (2S)-2-acetamido-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-4-methyl-pentanamide Openeye Name: (2S)-2-acetamido-N-[(1S)-1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]-4-methyl-pentanamide CAS Name: (2S)-2-acetamido-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide IUPAC Name: (2S)-2-acetamido-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide Traditional Name: (2S)-2-acetamido-N-[(1S)-1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]-4-methyl-valeramide Formula: C21H30N6O3S MolecularWeight: 446.5663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)C1=NC2=CC=CC=C2S1)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)C1=NC2=CC=CC=C2S1)NC(=O)C

InChI

InChI=1S/C21H30N6O3S/c1-12(2)11-16(25-13(3)28)19(30)26-15(8-6-10-24-21(22)23)18(29)20-27-14-7-4-5-9-17(14)31-20/h4-5,7,9,12,15-16H,6,8,10-11H2,1-3H3,(H,25,28)(H,26,30)(H4,22,23,24)/t15-,16-/m0/s1