3-[3-[1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-6-bromanyl-indol-1-yl]propanoic acid

Systemtic Name: 3-[3-[1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-6-bromanyl-indol-1-yl]propanoic acid Openeye Name: 3-[6-bromo-3-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-hydroxy-2-oxo-ethyl]indol-1-yl]propanoic acid CAS Name: 3-[6-bromo-3-[1-[(2S)-2-carbamoyl-1-pyrrolidinyl]-2-hydroxy-2-oxoethyl]-1-indolyl]propanoic acid IUPAC Name: 3-[6-bromo-3-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-hydroxy-2-oxoethyl]indol-1-yl]propanoic acid Traditional Name: 3-[6-bromo-3-[1-[(2S)-2-carbamoylpyrrolidino]-2-hydroxy-2-keto-ethyl]indol-1-yl]propionic acid Formula: C18H20BrN3O5 MolecularWeight: 438.2725

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CN(C3=C2C=CC(=C3)Br)CCC(=O)O)C(=O)O)C(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C(C2=CN(C3=C2C=CC(=C3)Br)CCC(=O)O)C(=O)O)C(=O)N

InChI

InChI=1S/C18H20BrN3O5/c19-10-3-4-11-12(9-21(14(11)8-10)7-5-15(23)24)16(18(26)27)22-6-1-2-13(22)17(20)25/h3-4,8-9,13,16H,1-2,5-7H2,(H2,20,25)(H,23,24)(H,26,27)/t13-,16?/m0/s1