methyl 4-[[1-(1-methylpyrrol-2-yl)carbonyl-3-(prop-2-enylcarbamoylamino)pyrrolidin-2-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[1-(1-methylpyrrol-2-yl)carbonyl-3-(prop-2-enylcarbamoylamino)pyrrolidin-2-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[3-(allylcarbamoylamino)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoate CAS Name: 4-[[[1-[(1-methyl-2-pyrrolyl)-oxomethyl]-3-[[oxo-(prop-2-enylamino)methyl]amino]-2-pyrrolidinyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-(1-methylpyrrole-2-carbonyl)-3-(prop-2-enylcarbamoylamino)pyrrolidine-2-carbonyl]amino]butanoate Traditional Name: 4-[[3-(allylcarbamoylamino)-1-(1-methylpyrrole-2-carbonyl)prolyl]amino]butyric acid methyl ester Formula: C20H29N5O5 MolecularWeight: 419.47476

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CCC(C2C(=O)NCCCC(=O)OC)NC(=O)NCC=C

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCC(C2C(=O)NCCCC(=O)OC)NC(=O)NCC=C

InChI

InChI=1S/C20H29N5O5/c1-4-10-22-20(29)23-14-9-13-25(19(28)15-7-6-12-24(15)2)17(14)18(27)21-11-5-8-16(26)30-3/h4,6-7,12,14,17H,1,5,8-11,13H2,2-3H3,(H,21,27)(H2,22,23,29)