3-[[(2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]-3-phenyl-propanoyl]amino]propanoic acid

Systemtic Name: 3-[[(2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]-3-phenyl-propanoyl]amino]propanoic acid Openeye Name: 3-[[(2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-3-phenyl-propanoyl]amino]propanoic acid CAS Name: 3-[[(2S)-2-[[(5-chloro-1-methyl-2-indolyl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid IUPAC Name: 3-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoyl]amino]propanoic acid Traditional Name: 3-[[(2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-3-phenyl-propanoyl]amino]propionic acid Formula: C22H22ClN3O4 MolecularWeight: 427.88078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C=C1C(=O)NC(CC3=CC=CC=C3)C(=O)NCCC(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C=C1C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C22H22ClN3O4/c1-26-18-8-7-16(23)12-15(18)13-19(26)22(30)25-17(11-14-5-3-2-4-6-14)21(29)24-10-9-20(27)28/h2-8,12-13,17H,9-11H2,1H3,(H,24,29)(H,25,30)(H,27,28)/t17-/m0/s1