S-[2-[[3-(1H-imidazol-5-yl)-2-(3-methylbutylcarbamoylamino)propanoyl]-methyl-amino]ethyl] ethanethioate

Systemtic Name: S-[2-[[3-(1H-imidazol-5-yl)-2-(3-methylbutylcarbamoylamino)propanoyl]-methyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[3-(1H-imidazol-5-yl)-2-(isopentylcarbamoylamino)propanoyl]-methyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[3-(1H-imidazol-5-yl)-2-[[(3-methylbutylamino)-oxomethyl]amino]-1-oxopropyl]-methylamino]ethyl] ester IUPAC Name: S-[2-[[3-(1H-imidazol-5-yl)-2-(3-methylbutylcarbamoylamino)propanoyl]-methylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[3-(1H-imidazol-5-yl)-2-(isoamylcarbamoylamino)propanoyl]-methyl-amino]ethyl] ester Formula: C17H29N5O3S MolecularWeight: 383.50886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(CC1=CN=CN1)C(=O)N(C)CCSC(=O)C

Isomeric SMILES

CC(C)CCNC(=O)NC(CC1=CN=CN1)C(=O)N(C)CCSC(=O)C

InChI

InChI=1S/C17H29N5O3S/c1-12(2)5-6-19-17(25)21-15(9-14-10-18-11-20-14)16(24)22(4)7-8-26-13(3)23/h10-12,15H,5-9H2,1-4H3,(H,18,20)(H2,19,21,25)