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

Systemtic Name: S-[1-[(2-azanyl-4-methyl-pentanoyl)-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl] ethanethioate Openeye Name: S-[1-[(2-amino-4-methyl-pentanoyl)-[1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]butyl] ethanethioate CAS Name: ethanethioic acid S-[1-[(2-amino-4-methyl-1-oxopentyl)-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl] ester IUPAC Name: S-[1-[(2-amino-4-methylpentanoyl)-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[(2-amino-4-methyl-pentanoyl)-[1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]butyl] ester Formula: C23H35N3O4S MolecularWeight: 449.6067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O4S/c1-6-10-20(31-16(4)27)23(30)26(22(29)18(24)13-15(2)3)19(21(28)25-5)14-17-11-8-7-9-12-17/h7-9,11-12,15,18-20H,6,10,13-14,24H2,1-5H3,(H,25,28)