3-azanyl-2-[[2-chloranyl-4-(1H-indol-4-ylmethylcarbamoyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-azanyl-2-[[2-chloranyl-4-(1H-indol-4-ylmethylcarbamoyl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-amino-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]propanoic acid CAS Name: 3-amino-2-[[[2-chloro-4-[(1H-indol-4-ylmethylamino)-oxomethyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-amino-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]propanoic acid Traditional Name: 3-amino-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]propionic acid Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CNC2=C1)CNC(=O)C3=CC(=C(C=C3)C(=O)NC(CN)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C2C=CNC2=C1)CNC(=O)C3=CC(=C(C=C3)C(=O)NC(CN)C(=O)O)Cl

InChI

InChI=1S/C20H19ClN4O4/c21-15-8-11(4-5-14(15)19(27)25-17(9-22)20(28)29)18(26)24-10-12-2-1-3-16-13(12)6-7-23-16/h1-8,17,23H,9-10,22H2,(H,24,26)(H,25,27)(H,28,29)