ethyl 4-[[(2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2S)-3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]butanoyl]amino]benzoate CAS Name: 4-[[(2S)-3-methyl-2-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoyl]amino]benzoate Traditional Name: 4-[[(2S)-3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]butanoyl]amino]benzoic acid ethyl ester Formula: C25H31N3O7S MolecularWeight: 517.59454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C25H31N3O7S/c1-4-35-25(31)18-8-10-20(11-9-18)26-24(30)22(17(2)3)27-23(29)19-6-5-7-21(16-19)36(32,33)28-12-14-34-15-13-28/h5-11,16-17,22H,4,12-15H2,1-3H3,(H,26,30)(H,27,29)/t22-/m0/s1