(phenylmethyl) N-[(2S)-1-[[(3R)-1-carbamothioylpyrrolidin-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[[(3R)-1-carbamothioylpyrrolidin-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[[(3R)-1-carbamothioylpyrrolidin-3-yl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[(2S)-1-[[(3R)-1-carbamothioyl-3-pyrrolidinyl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[[(3R)-1-carbamothioylpyrrolidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-3-methyl-1-[[(3R)-1-thiocarbamoylpyrrolidin-3-yl]carbamoyl]butyl]carbamic acid benzyl ester Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCN(C1)C(=S)N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H]1CCN(C1)C(=S)N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H28N4O3S/c1-13(2)10-16(17(24)21-15-8-9-23(11-15)18(20)27)22-19(25)26-12-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3,(H2,20,27)(H,21,24)(H,22,25)/t15-,16+/m1/s1