(2R)-2-(1-methanoyl-4-sulfanyl-pyrrolidin-3-yl)sulfanyl-4-methyl-N-[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]pentanamide

Systemtic Name: (2R)-2-(1-methanoyl-4-sulfanyl-pyrrolidin-3-yl)sulfanyl-4-methyl-N-[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]pentanamide Openeye Name: (2R)-N-[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]-2-(1-formyl-4-sulfanyl-pyrrolidin-3-yl)sulfanyl-4-methyl-pentanamide CAS Name: (2R)-2-[(1-formyl-4-mercapto-3-pyrrolidinyl)thio]-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide IUPAC Name: (2R)-2-(1-formyl-4-sulfanylpyrrolidin-3-yl)sulfanyl-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide Traditional Name: (2R)-N-[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]-2-[(1-formyl-4-mercapto-pyrrolidin-3-yl)thio]-4-methyl-valeramide Formula: C21H31N3O3S2 MolecularWeight: 437.61914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC)SC2CN(CC2S)C=O

Isomeric SMILES

CC(C)C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC)SC2CN(CC2S)C=O

InChI

InChI=1S/C21H31N3O3S2/c1-14(2)9-18(29-19-12-24(13-25)11-17(19)28)21(27)23-16(20(26)22-3)10-15-7-5-4-6-8-15/h4-8,13-14,16-19,28H,9-12H2,1-3H3,(H,22,26)(H,23,27)/t16-,17?,18+,19?/m0/s1