[(2S)-2-[[(2S,3R)-2-benzamido-3-methyl-pentanoyl]amino]-3-methyl-butyl] benzoate

Systemtic Name: [(2S)-2-[[(2S,3R)-2-benzamido-3-methyl-pentanoyl]amino]-3-methyl-butyl] benzoate Openeye Name: [(2S)-2-[[(2S,3R)-2-benzamido-3-methyl-pentanoyl]amino]-3-methyl-butyl] benzoate CAS Name: benzoic acid [(2S)-2-[[(2S,3R)-2-benzamido-3-methyl-1-oxopentyl]amino]-3-methylbutyl] ester IUPAC Name: [(2S)-2-[[(2S,3R)-2-benzamido-3-methylpentanoyl]amino]-3-methylbutyl] benzoate Traditional Name: benzoic acid [(2S)-2-[[(2S,3R)-2-benzamido-3-methyl-pentanoyl]amino]-3-methyl-butyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(COC(=O)C1=CC=CC=C1)C(C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)N[C@H](COC(=O)C1=CC=CC=C1)C(C)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H32N2O4/c1-5-18(4)22(27-23(28)19-12-8-6-9-13-19)24(29)26-21(17(2)3)16-31-25(30)20-14-10-7-11-15-20/h6-15,17-18,21-22H,5,16H2,1-4H3,(H,26,29)(H,27,28)/t18-,21-,22+/m1/s1