2-[[(2S)-2-acetamido-3-[[(5'R)-2',5',7'-trimethyl-5'-oxidanyl-4'-oxidanylidene-spiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-acetamido-3-[[(5'R)-2',5',7'-trimethyl-5'-oxidanyl-4'-oxidanylidene-spiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-acetamido-3-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-spiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]propanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-acetamido-3-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-spiro[cyclopropane-1,6'-indene]yl]methylthio]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-acetamido-3-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]propanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-acetamido-3-[[(5'R)-5'-hydroxy-4'-keto-2',5',7'-trimethyl-spiro[cyclopropane-1,6'-indene]-1'-yl]methylthio]propanoyl]amino]acetic acid Formula: C22H28N2O6S MolecularWeight: 448.53252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C3(CC3)C(C(=O)C2=C1)(C)O)C)CSCC(C(=O)NCC(=O)O)NC(=O)C

Isomeric SMILES

CC1=C(C2=C(C3(CC3)[C@@](C(=O)C2=C1)(C)O)C)CSC[C@H](C(=O)NCC(=O)O)NC(=O)C

InChI

InChI=1S/C22H28N2O6S/c1-11-7-14-18(12(2)22(5-6-22)21(4,30)19(14)28)15(11)9-31-10-16(24-13(3)25)20(29)23-8-17(26)27/h7,16,30H,5-6,8-10H2,1-4H3,(H,23,29)(H,24,25)(H,26,27)/t16-,21+/m1/s1