N-[(2S)-1-azanyl-1-oxidanylidene-5-pyrrol-1-yl-pentan-2-yl]-3-methyl-2-pyridin-4-yl-1H-indole-5-carboxamide; ethanoic acid

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-5-pyrrol-1-yl-pentan-2-yl]-3-methyl-2-pyridin-4-yl-1H-indole-5-carboxamide; ethanoic acid Openeye Name: acetic acid; N-[(1S)-1-carbamoyl-4-pyrrol-1-yl-butyl]-3-methyl-2-(4-pyridyl)-1H-indole-5-carboxamide CAS Name: acetic acid; N-[(2S)-1-amino-1-oxo-5-(1-pyrrolyl)pentan-2-yl]-3-methyl-2-pyridin-4-yl-1H-indole-5-carboxamide IUPAC Name: acetic acid; N-[(2S)-1-amino-1-oxo-5-pyrrol-1-ylpentan-2-yl]-3-methyl-2-pyridin-4-yl-1H-indole-5-carboxamide Traditional Name: acetic acid; N-[(1S)-1-carbamoyl-4-pyrrol-1-yl-butyl]-3-methyl-2-(4-pyridyl)-1H-indole-5-carboxamide Formula: C26H29N5O4 MolecularWeight: 475.53956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)NC(CCCN3C=CC=C3)C(=O)N)C4=CC=NC=C4.CC(=O)O

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)N[C@@H](CCCN3C=CC=C3)C(=O)N)C4=CC=NC=C4.CC(=O)O

InChI

InChI=1S/C24H25N5O2.C2H4O2/c1-16-19-15-18(6-7-20(19)27-22(16)17-8-10-26-11-9-17)24(31)28-21(23(25)30)5-4-14-29-12-2-3-13-29;1-2(3)4/h2-3,6-13,15,21,27H,4-5,14H2,1H3,(H2,25,30)(H,28,31);1H3,(H,3,4)/t21-;/m0./s1