(2S)-2-[5-[(3,5-ditert-butylphenyl)methylamino]pentanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[5-[(3,5-ditert-butylphenyl)methylamino]pentanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[5-[(3,5-ditert-butylphenyl)methylamino]pentanoylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[5-[(3,5-ditert-butylphenyl)methylamino]-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[5-[(3,5-ditert-butylphenyl)methylamino]pentanoylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[5-[(3,5-ditert-butylbenzyl)amino]pentanoylamino]-3-phenyl-propionic acid Formula: C29H42N2O3 MolecularWeight: 466.65538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CNCCCCC(=O)NC(CC2=CC=CC=C2)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CNCCCCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)C(C)(C)C

InChI

InChI=1S/C29H42N2O3/c1-28(2,3)23-16-22(17-24(19-23)29(4,5)6)20-30-15-11-10-14-26(32)31-25(27(33)34)18-21-12-8-7-9-13-21/h7-9,12-13,16-17,19,25,30H,10-11,14-15,18,20H2,1-6H3,(H,31,32)(H,33,34)/t25-/m0/s1