3-[methyl-[(2S)-4-morpholin-4-yl-4-oxidanylidene-2-(phenylmethyl)sulfonyl-butanoyl]amino]-2-oxidanylidene-N-phenethyl-pentanamide

Systemtic Name: 3-[methyl-[(2S)-4-morpholin-4-yl-4-oxidanylidene-2-(phenylmethyl)sulfonyl-butanoyl]amino]-2-oxidanylidene-N-phenethyl-pentanamide Openeye Name: 3-[[(2S)-2-benzylsulfonyl-4-morpholino-4-oxo-butanoyl]-methyl-amino]-2-oxo-N-phenethyl-pentanamide CAS Name: 3-[methyl-[(2S)-4-(4-morpholinyl)-1,4-dioxo-2-(phenylmethyl)sulfonylbutyl]amino]-2-oxo-N-phenethylpentanamide IUPAC Name: 3-[[(2S)-2-benzylsulfonyl-4-morpholin-4-yl-4-oxobutanoyl]-methylamino]-2-oxo-N-phenethylpentanamide Traditional Name: 3-[[(2S)-2-benzylsulfonyl-4-keto-4-morpholino-butanoyl]-methyl-amino]-2-keto-N-phenethyl-valeramide Formula: C29H37N3O7S MolecularWeight: 571.68498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(=O)NCCC1=CC=CC=C1)N(C)C(=O)C(CC(=O)N2CCOCC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)C(=O)NCCC1=CC=CC=C1)N(C)C(=O)[C@H](CC(=O)N2CCOCC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C29H37N3O7S/c1-3-24(27(34)28(35)30-15-14-22-10-6-4-7-11-22)31(2)29(36)25(20-26(33)32-16-18-39-19-17-32)40(37,38)21-23-12-8-5-9-13-23/h4-13,24-25H,3,14-21H2,1-2H3,(H,30,35)/t24?,25-/m0/s1