ethyl 3-[[1-[2-methyl-5-[(phenylmethyl)carbamoylamino]phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 3-[[1-[2-methyl-5-[(phenylmethyl)carbamoylamino]phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[[1-[5-(benzylcarbamoylamino)-2-methyl-phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[[1-[2-methyl-5-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[5-(benzylcarbamoylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[1-[5-(benzylcarbamoylamino)-2-methyl-phenyl]-5-keto-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C30H33N5O5 MolecularWeight: 543.61352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)C2CC(=O)N(C2)C3=C(C=CC(=C3)NC(=O)NCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)C2CC(=O)N(C2)C3=C(C=CC(=C3)NC(=O)NCC4=CC=CC=C4)C

InChI

InChI=1S/C30H33N5O5/c1-3-40-28(37)16-25(22-10-7-13-31-18-22)34-29(38)23-14-27(36)35(19-23)26-15-24(12-11-20(26)2)33-30(39)32-17-21-8-5-4-6-9-21/h4-13,15,18,23,25H,3,14,16-17,19H2,1-2H3,(H,34,38)(H2,32,33,39)