methyl (2S)-2-[[(2S)-2-(2-benzamidoethanoylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-(2-benzamidoethanoylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[(2-benzamidoacetyl)amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[(2-benzamido-1-oxoethyl)amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[(2-benzamidoacetyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-(hippuroylamino)-3-methyl-butanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)CNC(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5/c1-12(2)16(19(26)23-17(13(3)4)20(27)28-5)22-15(24)11-21-18(25)14-9-7-6-8-10-14/h6-10,12-13,16-17H,11H2,1-5H3,(H,21,25)(H,22,24)(H,23,26)/t16-,17-/m0/s1