methyl (2S)-2-[[(2R)-2-[(2-bromophenyl)methylamino]-2-methyl-butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2R)-2-[(2-bromophenyl)methylamino]-2-methyl-butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2R)-2-[(2-bromophenyl)methylamino]-2-methyl-butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2R)-2-[(2-bromophenyl)methylamino]-2-methyl-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-2-[(2-bromophenyl)methylamino]-2-methylbutanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2R)-2-[(2-bromobenzyl)amino]-2-methyl-butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H27BrN2O3 MolecularWeight: 447.36538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NCC2=CC=CC=C2Br

Isomeric SMILES

CC[C@](C)(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NCC2=CC=CC=C2Br

InChI

InChI=1S/C22H27BrN2O3/c1-4-22(2,24-15-17-12-8-9-13-18(17)23)21(27)25-19(20(26)28-3)14-16-10-6-5-7-11-16/h5-13,19,24H,4,14-15H2,1-3H3,(H,25,27)/t19-,22+/m0/s1