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

Systemtic Name: 3-[[1-[[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]carbonyl]piperidin-3-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[1-(2-guanidino-4-methyl-thiazole-5-carbonyl)piperidine-3-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[1-[[2-(diaminomethylideneamino)-4-methyl-5-thiazolyl]-oxomethyl]-3-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[1-[2-(diaminomethylideneamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-3-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[1-(2-guanidino-4-methyl-thiazole-5-carbonyl)nipecotoyl]amino]-3-phenyl-propionic acid Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(N)N)C(=O)N2CCCC(C2)C(=O)NC(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=N1)N=C(N)N)C(=O)N2CCCC(C2)C(=O)NC(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N6O4S/c1-12-17(32-21(24-12)26-20(22)23)19(31)27-9-5-8-14(11-27)18(30)25-15(10-16(28)29)13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-11H2,1H3,(H,25,30)(H,28,29)(H4,22,23,24,26)