methyl (2S)-2-[5-[(3,5-ditert-butylphenyl)methylamino]pentanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[5-[(3,5-ditert-butylphenyl)methylamino]pentanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[5-[(3,5-ditert-butylphenyl)methylamino]pentanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[5-[(3,5-ditert-butylphenyl)methylamino]-1-oxopentyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[5-[(3,5-ditert-butylphenyl)methylamino]pentanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[5-[(3,5-ditert-butylbenzyl)amino]pentanoylamino]-3-phenyl-propionic acid methyl ester Formula: C30H44N2O3 MolecularWeight: 480.68196

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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)OC)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H44N2O3/c1-29(2,3)24-17-23(18-25(20-24)30(4,5)6)21-31-16-12-11-15-27(33)32-26(28(34)35-7)19-22-13-9-8-10-14-22/h8-10,13-14,17-18,20,26,31H,11-12,15-16,19,21H2,1-7H3,(H,32,33)/t26-/m0/s1