methyl (2R,3S,4S)-4-[bis(phenylmethyl)amino]-2-methyl-3-oxidanyl-5-phenyl-pentanoate

Systemtic Name: methyl (2R,3S,4S)-4-[bis(phenylmethyl)amino]-2-methyl-3-oxidanyl-5-phenyl-pentanoate Openeye Name: methyl (2R,3S,4S)-4-(dibenzylamino)-3-hydroxy-2-methyl-5-phenyl-pentanoate CAS Name: (2R,3S,4S)-4-[bis(phenylmethyl)amino]-3-hydroxy-2-methyl-5-phenylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S,4S)-4-(dibenzylamino)-3-hydroxy-2-methyl-5-phenylpentanoate Traditional Name: (2R,3S,4S)-4-(dibenzylamino)-3-hydroxy-2-methyl-5-phenyl-valeric acid methyl ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O)C(=O)OC

Isomeric SMILES

C[C@H]([C@@H]([C@H](CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O)C(=O)OC

InChI

InChI=1S/C27H31NO3/c1-21(27(30)31-2)26(29)25(18-22-12-6-3-7-13-22)28(19-23-14-8-4-9-15-23)20-24-16-10-5-11-17-24/h3-17,21,25-26,29H,18-20H2,1-2H3/t21-,25+,26+/m1/s1