methyl 2-[[1-(2-acetamidoethyl)cyclopentyl]-methanethioyl-amino]-3-(4-aminophenyl)propanoate

Systemtic Name: methyl 2-[[1-(2-acetamidoethyl)cyclopentyl]-methanethioyl-amino]-3-(4-aminophenyl)propanoate Openeye Name: methyl 2-[[1-(2-acetamidoethyl)cyclopentyl]-methanethioyl-amino]-3-(4-aminophenyl)propanoate CAS Name: 2-[[1-(2-acetamidoethyl)cyclopentyl]-methanethioylamino]-3-(4-aminophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[1-(2-acetamidoethyl)cyclopentyl]-methanethioylamino]-3-(4-aminophenyl)propanoate Traditional Name: 2-[[1-(2-acetamidoethyl)cyclopentyl]-thioformyl-amino]-3-(4-aminophenyl)propionic acid methyl ester Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1(CCCC1)N(C=S)C(CC2=CC=C(C=C2)N)C(=O)OC

Isomeric SMILES

CC(=O)NCCC1(CCCC1)N(C=S)C(CC2=CC=C(C=C2)N)C(=O)OC

InChI

InChI=1S/C20H29N3O3S/c1-15(24)22-12-11-20(9-3-4-10-20)23(14-27)18(19(25)26-2)13-16-5-7-17(21)8-6-16/h5-8,14,18H,3-4,9-13,21H2,1-2H3,(H,22,24)