2-benzamido-3-[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-benzamido-3-[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]-3-phenyl-propanoic acid Openeye Name: 2-benzamido-3-(2-guanidino-4-methyl-thiazol-5-yl)-3-phenyl-propanoic acid CAS Name: 2-benzamido-3-[2-(diaminomethylideneamino)-4-methyl-5-thiazolyl]-3-phenylpropanoic acid IUPAC Name: 2-benzamido-3-[2-(diaminomethylideneamino)-4-methyl-1,3-thiazol-5-yl]-3-phenylpropanoic acid Traditional Name: 2-benzamido-3-(2-guanidino-4-methyl-thiazol-5-yl)-3-phenyl-propionic acid Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3S/c1-12-17(30-21(24-12)26-20(22)23)15(13-8-4-2-5-9-13)16(19(28)29)25-18(27)14-10-6-3-7-11-14/h2-11,15-16H,1H3,(H,25,27)(H,28,29)(H4,22,23,24,26)