tert-butyl (3S)-3-(4-azanylbutylamino)-2-[(S)-(4-methylphenyl)sulfinyl]-3-phenyl-propanoate

Systemtic Name: tert-butyl (3S)-3-(4-azanylbutylamino)-2-[(S)-(4-methylphenyl)sulfinyl]-3-phenyl-propanoate Openeye Name: tert-butyl (3S)-3-(4-aminobutylamino)-3-phenyl-2-[(S)-p-tolylsulfinyl]propanoate CAS Name: (3S)-3-(4-aminobutylamino)-2-[(S)-(4-methylphenyl)sulfinyl]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(4-aminobutylamino)-2-[(S)-(4-methylphenyl)sulfinyl]-3-phenylpropanoate Traditional Name: (3S)-3-(4-aminobutylamino)-3-phenyl-2-[(S)-p-tolylsulfinyl]propionic acid tert-butyl ester Formula: C24H34N2O3S MolecularWeight: 430.60336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C(C(C2=CC=CC=C2)NCCCCN)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[S@@](=O)C([C@H](C2=CC=CC=C2)NCCCCN)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H34N2O3S/c1-18-12-14-20(15-13-18)30(28)22(23(27)29-24(2,3)4)21(26-17-9-8-16-25)19-10-6-5-7-11-19/h5-7,10-15,21-22,26H,8-9,16-17,25H2,1-4H3/t21-,22?,30+/m0/s1