(2S)-2-[[(2S)-2-(butylamino)-3-methyl-butanoyl]amino]-4-methyl-N-phenyl-pentanamide

Systemtic Name: (2S)-2-[[(2S)-2-(butylamino)-3-methyl-butanoyl]amino]-4-methyl-N-phenyl-pentanamide Openeye Name: (2S)-2-[[(2S)-2-(butylamino)-3-methyl-butanoyl]amino]-4-methyl-N-phenyl-pentanamide CAS Name: (2S)-2-[[(2S)-2-(butylamino)-3-methyl-1-oxobutyl]amino]-4-methyl-N-phenylpentanamide IUPAC Name: (2S)-2-[[(2S)-2-(butylamino)-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide Traditional Name: (2S)-2-[[(2S)-2-(butylamino)-3-methyl-butanoyl]amino]-4-methyl-N-phenyl-valeramide Formula: C21H35N3O2 MolecularWeight: 361.5215

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC1=CC=CC=C1

Isomeric SMILES

CCCCN[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC1=CC=CC=C1

InChI

InChI=1S/C21H35N3O2/c1-6-7-13-22-19(16(4)5)21(26)24-18(14-15(2)3)20(25)23-17-11-9-8-10-12-17/h8-12,15-16,18-19,22H,6-7,13-14H2,1-5H3,(H,23,25)(H,24,26)/t18-,19-/m0/s1