[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl] ester Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CSC(=N1)NC(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H28N4O4S/c1-12-11-29-19(22-12)23-16(25)10-28-17(26)2-3-21-18(27)24-20-7-13-4-14(8-20)6-15(5-13)9-20/h11,13-15H,2-10H2,1H3,(H2,21,24,27)(H,22,23,25)