3-[[2-[4-[C-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)carbonimidoyl]phenyl]carbonylimino-3,4-dimethyl-1,3-thiazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-[4-[C-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)carbonimidoyl]phenyl]carbonylimino-3,4-dimethyl-1,3-thiazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carboximidoyl)benzoyl]imino-3,4-dimethyl-thiazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-[[4-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(imino)methyl]phenyl]-oxomethyl]imino-3,4-dimethyl-5-thiazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carboximidoyl)benzoyl]imino-3,4-dimethyl-1,3-thiazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carboximidoyl)benzoyl]imino-3,4-dimethyl-4-thiazoline-5-carbonyl]amino]propionic acid Formula: C24H29N5O6S MolecularWeight: 515.58196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=N)N3CCC4(CC3)OCCO4)N1C)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=N)N3CCC4(CC3)OCCO4)N1C)C(=O)NCCC(=O)O

InChI

InChI=1S/C24H29N5O6S/c1-15-19(22(33)26-10-7-18(30)31)36-23(28(15)2)27-21(32)17-5-3-16(4-6-17)20(25)29-11-8-24(9-12-29)34-13-14-35-24/h3-6,25H,7-14H2,1-2H3,(H,26,33)(H,30,31)