3-[(5-chloranylthiophen-2-yl)carbonylamino]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid

Systemtic Name: 3-[(5-chloranylthiophen-2-yl)carbonylamino]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid Openeye Name: 4-(benzyloxycarbonylamino)-3-[(5-chlorothiophene-2-carbonyl)amino]piperidine-1-carboxylic acid CAS Name: 3-[[(5-chloro-2-thiophenyl)-oxomethyl]amino]-4-(phenylmethoxycarbonylamino)-1-piperidinecarboxylic acid IUPAC Name: 3-[(5-chlorothiophene-2-carbonyl)amino]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid Traditional Name: 4-(benzyloxycarbonylamino)-3-[(5-chlorothiophene-2-carbonyl)amino]piperidine-1-carboxylic acid Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1NC(=O)OCC2=CC=CC=C2)NC(=O)C3=CC=C(S3)Cl)C(=O)O

Isomeric SMILES

C1CN(CC(C1NC(=O)OCC2=CC=CC=C2)NC(=O)C3=CC=C(S3)Cl)C(=O)O

InChI

InChI=1S/C19H20ClN3O5S/c20-16-7-6-15(29-16)17(24)21-14-10-23(19(26)27)9-8-13(14)22-18(25)28-11-12-4-2-1-3-5-12/h1-7,13-14H,8-11H2,(H,21,24)(H,22,25)(H,26,27)