(3R)-1-[(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-propanoyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-propanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-propanoyl]piperidine-3-carboxamide CAS Name: (3R)-1-[(2S)-2-acetamido-3-[(9-ethyl-3-carbazolyl)thio]-1-oxopropyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[(2S)-2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanylpropanoyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[(2S)-2-acetamido-3-[(9-ethylcarbazol-3-yl)thio]propanoyl]nipecotamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)SCC(C(=O)N3CCCC(C3)C(=O)N)NC(=O)C)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)SC[C@H](C(=O)N3CCC[C@H](C3)C(=O)N)NC(=O)C)C4=CC=CC=C41

InChI

InChI=1S/C25H30N4O3S/c1-3-29-22-9-5-4-8-19(22)20-13-18(10-11-23(20)29)33-15-21(27-16(2)30)25(32)28-12-6-7-17(14-28)24(26)31/h4-5,8-11,13,17,21H,3,6-7,12,14-15H2,1-2H3,(H2,26,31)(H,27,30)/t17-,21-/m1/s1