(2S)-2-[(4-butylphenyl)carbamoylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[(4-butylphenyl)carbamoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(4-butylphenyl)carbamoylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(4-butylanilino)-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(4-butylphenyl)carbamoylamino]-4-methylpentanoate Traditional Name: (2S)-2-[(4-butylphenyl)carbamoylamino]-4-methyl-valerate Formula: C17H25N2O3- MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)NC(CC(C)C)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N[C@@H](CC(C)C)C(=O)[O-]

InChI

InChI=1S/C17H26N2O3/c1-4-5-6-13-7-9-14(10-8-13)18-17(22)19-15(16(20)21)11-12(2)3/h7-10,12,15H,4-6,11H2,1-3H3,(H,20,21)(H2,18,19,22)/p-1/t15-/m0/s1