ethyl 3-[2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 3-[2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[[2-[[3-(p-tolylsulfonylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[2-[[[3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-(3-pyridyl)-3-[[2-[[3-(tosylcarbamoylamino)benzoyl]amino]acetyl]amino]propionic acid ethyl ester Formula: C27H29N5O7S MolecularWeight: 567.61346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H29N5O7S/c1-3-39-25(34)15-23(20-7-5-13-28-16-20)31-24(33)17-29-26(35)19-6-4-8-21(14-19)30-27(36)32-40(37,38)22-11-9-18(2)10-12-22/h4-14,16,23H,3,15,17H2,1-2H3,(H,29,35)(H,31,33)(H2,30,32,36)