S-[2-[(2-azanyl-4-methyl-pentanoyl)-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentanoyl]amino]-1-(methylamino)-1-oxidanylidene-3-(1,3-thiazol-4-yl)propan-2-yl] ethanethioate

Systemtic Name: S-[2-[(2-azanyl-4-methyl-pentanoyl)-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentanoyl]amino]-1-(methylamino)-1-oxidanylidene-3-(1,3-thiazol-4-yl)propan-2-yl] ethanethioate Openeye Name: S-[1-[(2-amino-4-methyl-pentanoyl)-[5-(1,3-dioxoisoindolin-2-yl)pentanoyl]amino]-2-(methylamino)-2-oxo-1-(thiazol-4-ylmethyl)ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(2-amino-4-methyl-1-oxopentyl)-[5-(1,3-dioxo-2-isoindolyl)-1-oxopentyl]amino]-1-(methylamino)-1-oxo-3-(4-thiazolyl)propan-2-yl] ester IUPAC Name: S-[2-[(2-amino-4-methylpentanoyl)-[5-(1,3-dioxoisoindol-2-yl)pentanoyl]amino]-1-(methylamino)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[(2-amino-4-methyl-pentanoyl)-(5-phthalimidopentanoyl)amino]-2-keto-2-(methylamino)-1-(thiazol-4-ylmethyl)ethyl] ester Formula: C28H35N5O6S2 MolecularWeight: 601.7374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(CC3=CSC=N3)(C(=O)NC)SC(=O)C)N

Isomeric SMILES

CC(C)CC(C(=O)N(C(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(CC3=CSC=N3)(C(=O)NC)SC(=O)C)N

InChI

InChI=1S/C28H35N5O6S2/c1-17(2)13-22(29)26(38)33(28(27(39)30-4,41-18(3)34)14-19-15-40-16-31-19)23(35)11-7-8-12-32-24(36)20-9-5-6-10-21(20)25(32)37/h5-6,9-10,15-17,22H,7-8,11-14,29H2,1-4H3,(H,30,39)