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

Systemtic Name: (2S)-2-[(4-azanyl-2-chloranyl-phenyl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(4-amino-2-chloro-benzoyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(4-amino-2-chlorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(4-amino-2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(4-amino-2-chloro-benzoyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C18H16ClN3O3 MolecularWeight: 357.79094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C3=C(C=C(C=C3)N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)C3=C(C=C(C=C3)N)Cl

InChI

InChI=1S/C18H16ClN3O3/c19-14-8-11(20)5-6-13(14)17(23)22-16(18(24)25)7-10-9-21-15-4-2-1-3-12(10)15/h1-6,8-9,16,21H,7,20H2,(H,22,23)(H,24,25)/t16-/m0/s1