3-[2-[[2-(4,5-dihydro-1H-imidazol-2-ylamino)-1,3-thiazol-4-yl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: 3-[2-[[2-(4,5-dihydro-1H-imidazol-2-ylamino)-1,3-thiazol-4-yl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoate Openeye Name: 3-[[2-[[2-(4,5-dihydro-1H-imidazol-2-ylamino)thiazole-4-carbonyl]amino]acetyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[2-[[[2-(4,5-dihydro-1H-imidazol-2-ylamino)-4-thiazolyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoate IUPAC Name: 3-[[2-[[2-(4,5-dihydro-1H-imidazol-2-ylamino)-1,3-thiazole-4-carbonyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[2-[[2-(2-imidazolin-2-ylamino)thiazole-4-carbonyl]amino]acetyl]amino]-3-(3-pyridyl)propionate Formula: C17H18N7O4S- MolecularWeight: 416.43432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NC2=NC(=CS2)C(=O)NCC(=O)NC(CC(=O)[O-])C3=CN=CC=C3

Isomeric SMILES

C1CN=C(N1)NC2=NC(=CS2)C(=O)NCC(=O)NC(CC(=O)[O-])C3=CN=CC=C3

InChI

InChI=1S/C17H19N7O4S/c25-13(22-11(6-14(26)27)10-2-1-3-18-7-10)8-21-15(28)12-9-29-17(23-12)24-16-19-4-5-20-16/h1-3,7,9,11H,4-6,8H2,(H,21,28)(H,22,25)(H,26,27)(H2,19,20,23,24)/p-1