[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] (2S)-3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]butanoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]butyric acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C28H33N3O7S MolecularWeight: 555.64252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C(C(C)C)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)[C@H](C(C)C)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C28H33N3O7S/c1-4-19-7-6-10-22-23(16-29-26(19)22)24(32)17-38-28(34)25(18(2)3)30-27(33)20-8-5-9-21(15-20)39(35,36)31-11-13-37-14-12-31/h5-10,15-16,18,25,29H,4,11-14,17H2,1-3H3,(H,30,33)/t25-/m0/s1