S-[[[2-[(2-azanyl-3-phenyl-propanoyl)-(4-methylpentanoyl)amino]-4-methyl-pentanoyl]amino]methyl] ethanethioate

Systemtic Name: S-[[[2-[(2-azanyl-3-phenyl-propanoyl)-(4-methylpentanoyl)amino]-4-methyl-pentanoyl]amino]methyl] ethanethioate Openeye Name: S-[[[2-[(2-amino-3-phenyl-propanoyl)-(4-methylpentanoyl)amino]-4-methyl-pentanoyl]amino]methyl] ethanethioate CAS Name: ethanethioic acid S-[[[2-[(2-amino-1-oxo-3-phenylpropyl)-(4-methyl-1-oxopentyl)amino]-4-methyl-1-oxopentyl]amino]methyl] ester IUPAC Name: S-[[[2-[(2-amino-3-phenylpropanoyl)-(4-methylpentanoyl)amino]-4-methylpentanoyl]amino]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[[4-methyl-2-[4-methylpentanoyl(phenylalanyl)amino]pentanoyl]amino]methyl] ester Formula: C24H37N3O4S MolecularWeight: 463.63328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C(CC(C)C)C(=O)NCSC(=O)C)C(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CC(C)CCC(=O)N(C(CC(C)C)C(=O)NCSC(=O)C)C(=O)C(CC1=CC=CC=C1)N

InChI

InChI=1S/C24H37N3O4S/c1-16(2)11-12-22(29)27(24(31)20(25)14-19-9-7-6-8-10-19)21(13-17(3)4)23(30)26-15-32-18(5)28/h6-10,16-17,20-21H,11-15,25H2,1-5H3,(H,26,30)