methyl (2S)-3-methyl-2-[(phenylmethyl)-(2-pyrrolidin-1-ylethylsulfonyl)amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[(phenylmethyl)-(2-pyrrolidin-1-ylethylsulfonyl)amino]butanoate Openeye Name: methyl (2S)-2-[benzyl(2-pyrrolidin-1-ylethylsulfonyl)amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[(phenylmethyl)-[2-(1-pyrrolidinyl)ethylsulfonyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[benzyl(2-pyrrolidin-1-ylethylsulfonyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[benzyl(2-pyrrolidinoethylsulfonyl)amino]-3-methyl-butyric acid methyl ester Formula: C19H30N2O4S MolecularWeight: 382.5175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N(CC1=CC=CC=C1)S(=O)(=O)CCN2CCCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)N(CC1=CC=CC=C1)S(=O)(=O)CCN2CCCC2

InChI

InChI=1S/C19H30N2O4S/c1-16(2)18(19(22)25-3)21(15-17-9-5-4-6-10-17)26(23,24)14-13-20-11-7-8-12-20/h4-6,9-10,16,18H,7-8,11-15H2,1-3H3/t18-/m0/s1