S-[3-[(2-azanyl-4-methyl-pentanoyl)-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-ethanoylsulfanyl-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[3-[(2-azanyl-4-methyl-pentanoyl)-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-ethanoylsulfanyl-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[2-acetylsulfanyl-3-[(2-amino-4-methyl-pentanoyl)-[1-benzyl-2-(methylamino)-2-oxo-ethyl]amino]-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-(acetylthio)-3-[(2-amino-4-methyl-1-oxopentyl)-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl] ester IUPAC Name: S-[2-acetylsulfanyl-3-[(2-amino-4-methylpentanoyl)-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(acetylthio)-3-[(2-amino-4-methyl-pentanoyl)-[1-benzyl-2-keto-2-(methylamino)ethyl]amino]-3-keto-propyl] ester Formula: C23H33N3O5S2 MolecularWeight: 495.65522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC)C(=O)C(CSC(=O)C)SC(=O)C)N

Isomeric SMILES

CC(C)CC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC)C(=O)C(CSC(=O)C)SC(=O)C)N

InChI

InChI=1S/C23H33N3O5S2/c1-14(2)11-18(24)22(30)26(23(31)20(33-16(4)28)13-32-15(3)27)19(21(29)25-5)12-17-9-7-6-8-10-17/h6-10,14,18-20H,11-13,24H2,1-5H3,(H,25,29)