2-azanyl-2-benzamido-3-[[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]carbonyl]-4-oxidanylidene-4-phenylazanyl-butanoic acid

Systemtic Name: 2-azanyl-2-benzamido-3-[[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]carbonyl]-4-oxidanylidene-4-phenylazanyl-butanoic acid Openeye Name: 2-amino-4-anilino-2-benzamido-3-(2-guanidino-4-methyl-thiazole-5-carbonyl)-4-oxo-butanoic acid CAS Name: 2-amino-3-[anilino(oxo)methyl]-2-benzamido-4-[2-(diaminomethylideneamino)-4-methyl-5-thiazolyl]-4-oxobutanoic acid IUPAC Name: 2-amino-4-anilino-2-benzamido-3-[2-(diaminomethylideneamino)-4-methyl-1,3-thiazole-5-carbonyl]-4-oxobutanoic acid Traditional Name: 2-amino-4-anilino-2-benzamido-3-(2-guanidino-4-methyl-thiazole-5-carbonyl)-4-keto-butyric acid Formula: C23H23N7O5S MolecularWeight: 509.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(N)N)C(=O)C(C(=O)NC2=CC=CC=C2)C(C(=O)O)(N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=N1)N=C(N)N)C(=O)C(C(=O)NC2=CC=CC=C2)C(C(=O)O)(N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H23N7O5S/c1-12-17(36-22(27-12)29-21(24)25)16(31)15(19(33)28-14-10-6-3-7-11-14)23(26,20(34)35)30-18(32)13-8-4-2-5-9-13/h2-11,15H,26H2,1H3,(H,28,33)(H,30,32)(H,34,35)(H4,24,25,27,29)