(3S)-3-[[[(2R)-2-(3-bromanylphenoxy)propanoyl]amino]carbamoyl]piperidine-1-carboxamide

Systemtic Name: (3S)-3-[[[(2R)-2-(3-bromanylphenoxy)propanoyl]amino]carbamoyl]piperidine-1-carboxamide Openeye Name: (3S)-3-[[[(2R)-2-(3-bromophenoxy)propanoyl]amino]carbamoyl]piperidine-1-carboxamide CAS Name: (3S)-3-[[[(2R)-2-(3-bromophenoxy)-1-oxopropyl]hydrazo]-oxomethyl]-1-piperidinecarboxamide IUPAC Name: (3S)-3-[[[(2R)-2-(3-bromophenoxy)propanoyl]amino]carbamoyl]piperidine-1-carboxamide Traditional Name: (3S)-3-[[[(2R)-2-(3-bromophenoxy)propanoyl]amino]carbamoyl]piperidine-1-carboxamide Formula: C16H21BrN4O4 MolecularWeight: 413.26634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1CCCN(C1)C(=O)N)OC2=CC(=CC=C2)Br

Isomeric SMILES

C[C@H](C(=O)NNC(=O)[C@H]1CCCN(C1)C(=O)N)OC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H21BrN4O4/c1-10(25-13-6-2-5-12(17)8-13)14(22)19-20-15(23)11-4-3-7-21(9-11)16(18)24/h2,5-6,8,10-11H,3-4,7,9H2,1H3,(H2,18,24)(H,19,22)(H,20,23)/t10-,11+/m1/s1