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

Systemtic Name: 5-chloranyl-N-[(3S)-4-(2-hydroxyethylamino)-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide Openeye Name: N-[(2S)-1-benzyl-2-hydroxy-3-(2-hydroxyethylamino)-3-oxo-propyl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide CAS Name: 5-chloro-N-[(3S)-3-hydroxy-4-(2-hydroxyethylamino)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide IUPAC Name: 5-chloro-N-[(3S)-3-hydroxy-4-(2-hydroxyethylamino)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide Traditional Name: N-[(2S)-1-benzyl-2-hydroxy-3-(2-hydroxyethylamino)-3-keto-propyl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide Formula: C20H21ClN4O4 MolecularWeight: 416.85814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O4/c21-17-10-13-9-15(24-16(13)11-23-17)19(28)25-14(8-12-4-2-1-3-5-12)18(27)20(29)22-6-7-26/h1-5,9-11,14,18,24,26-27H,6-8H2,(H,22,29)(H,25,28)/t14?,18-/m0/s1