2-[(2-azanyl-3-phenyl-propanoyl)-(4-methylpentanoyl)amino]-4-methyl-N-(sulfanylmethyl)pentanamide

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)-(4-methylpentanoyl)amino]-4-methyl-N-(sulfanylmethyl)pentanamide Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)-(4-methylpentanoyl)amino]-4-methyl-N-(sulfanylmethyl)pentanamide CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-(4-methyl-1-oxopentyl)amino]-N-(mercaptomethyl)-4-methylpentanamide IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)-(4-methylpentanoyl)amino]-4-methyl-N-(sulfanylmethyl)pentanamide Traditional Name: N-(mercaptomethyl)-4-methyl-2-[4-methylpentanoyl(phenylalanyl)amino]valeramide Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O3S/c1-15(2)10-11-20(26)25(19(12-16(3)4)21(27)24-14-29)22(28)18(23)13-17-8-6-5-7-9-17/h5-9,15-16,18-19,29H,10-14,23H2,1-4H3,(H,24,27)