3-benzamido-2-[[2-chloranyl-4-[(1H-indol-5-ylcarbonylamino)methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-benzamido-2-[[2-chloranyl-4-[(1H-indol-5-ylcarbonylamino)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-benzamido-2-[[2-chloro-4-[(1H-indole-5-carbonylamino)methyl]benzoyl]amino]propanoic acid CAS Name: 3-benzamido-2-[[[2-chloro-4-[[[1H-indol-5-yl(oxo)methyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-benzamido-2-[[2-chloro-4-[(1H-indole-5-carbonylamino)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-benzamido-2-[[2-chloro-4-[(1H-indole-5-carbonylamino)methyl]benzoyl]amino]propionic acid Formula: C27H23ClN4O5 MolecularWeight: 518.94832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC(=O)C2=C(C=C(C=C2)CNC(=O)C3=CC4=C(C=C3)NC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC(=O)C2=C(C=C(C=C2)CNC(=O)C3=CC4=C(C=C3)NC=C4)Cl

InChI

InChI=1S/C27H23ClN4O5/c28-21-12-16(14-30-25(34)19-7-9-22-18(13-19)10-11-29-22)6-8-20(21)26(35)32-23(27(36)37)15-31-24(33)17-4-2-1-3-5-17/h1-13,23,29H,14-15H2,(H,30,34)(H,31,33)(H,32,35)(H,36,37)