methyl 2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]-(1-azanylcyclopentyl)carbonyl-amino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]-(1-azanylcyclopentyl)carbonyl-amino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]-(1-aminocyclopentanecarbonyl)amino]-3-hydroxy-propanoate CAS Name: 2-[[2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]-[(1-aminocyclopentyl)-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]-(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoate Traditional Name: 2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]-(1-aminocyclopentanecarbonyl)amino]-3-hydroxy-propionic acid methyl ester Formula: C21H29N3O7 MolecularWeight: 435.47086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)N(C(CO)C(=O)OC)C(=O)C2(CCCC2)N

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)N(C(CO)C(=O)OC)C(=O)C2(CCCC2)N

InChI

InChI=1S/C21H29N3O7/c1-13(26)23-16(11-14-5-7-15(27)8-6-14)18(28)24(17(12-25)19(29)31-2)20(30)21(22)9-3-4-10-21/h5-8,16-17,25,27H,3-4,9-12,22H2,1-2H3,(H,23,26)