N-[(3S)-4-azanyl-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]-5-chloranyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

Systemtic Name: N-[(3S)-4-azanyl-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]-5-chloranyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide Openeye Name: N-[(2S)-3-amino-1-benzyl-2-hydroxy-3-oxo-propyl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide CAS Name: N-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide IUPAC Name: N-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide Traditional Name: N-[(2S)-3-amino-1-benzyl-2-hydroxy-3-keto-propyl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide Formula: C18H17ClN4O3 MolecularWeight: 372.80558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(C(=O)N)O)NC(=O)C2=CC3=CC(=NC=C3N2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC([C@@H](C(=O)N)O)NC(=O)C2=CC3=CC(=NC=C3N2)Cl

InChI

InChI=1S/C18H17ClN4O3/c19-15-8-11-7-13(22-14(11)9-21-15)18(26)23-12(16(24)17(20)25)6-10-4-2-1-3-5-10/h1-5,7-9,12,16,22,24H,6H2,(H2,20,25)(H,23,26)/t12?,16-/m0/s1