methyl 4-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]amino]butanoate

Systemtic Name: methyl 4-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]amino]butanoate Openeye Name: methyl 4-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]amino]butanoate CAS Name: 4-[[(2S,3S)-2-benzamido-3-methyl-1-oxopentyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2S,3S)-2-benzamido-3-methylpentanoyl]amino]butanoate Traditional Name: 4-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]amino]butyric acid methyl ester Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCCC(=O)OC)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCCCC(=O)OC)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H26N2O4/c1-4-13(2)16(18(23)19-12-8-11-15(21)24-3)20-17(22)14-9-6-5-7-10-14/h5-7,9-10,13,16H,4,8,11-12H2,1-3H3,(H,19,23)(H,20,22)/t13-,16-/m0/s1