methyl (2S)-2-[2-(cyclopentylamino)ethylsulfonyl-(phenylmethyl)amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[2-(cyclopentylamino)ethylsulfonyl-(phenylmethyl)amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[benzyl-[2-(cyclopentylamino)ethylsulfonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[2-(cyclopentylamino)ethylsulfonyl-(phenylmethyl)amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[benzyl-[2-(cyclopentylamino)ethylsulfonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[benzyl-[2-(cyclopentylamino)ethylsulfonyl]amino]-3-methyl-butyric acid methyl ester Formula: C20H32N2O4S MolecularWeight: 396.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N(CC1=CC=CC=C1)S(=O)(=O)CCNC2CCCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)N(CC1=CC=CC=C1)S(=O)(=O)CCNC2CCCC2

InChI

InChI=1S/C20H32N2O4S/c1-16(2)19(20(23)26-3)22(15-17-9-5-4-6-10-17)27(24,25)14-13-21-18-11-7-8-12-18/h4-6,9-10,16,18-19,21H,7-8,11-15H2,1-3H3/t19-/m0/s1