3-[(2S)-2-[[(2S)-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 3-[(2S)-2-[[(2S)-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid Openeye Name: 3-[(2S)-2-[[(1S)-1-carboxy-3-methyl-butyl]carbamoylamino]-3-hydroxy-3-oxo-propyl]benzoic acid CAS Name: 3-[(2S)-3-hydroxy-2-[[[[(2S)-1-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]amino]-3-oxopropyl]benzoic acid IUPAC Name: 3-[(2S)-3-hydroxy-2-[[(2S)-1-hydroxy-4-methyl-1-oxopentan-2-yl]carbamoylamino]-3-oxopropyl]benzoic acid Traditional Name: 3-[(2S)-2-[[(1S)-1-carboxy-3-methyl-butyl]carbamoylamino]-3-hydroxy-3-keto-propyl]benzoic acid Formula: C17H22N2O7 MolecularWeight: 366.36578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)NC(CC1=CC=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)N[C@@H](CC1=CC=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C17H22N2O7/c1-9(2)6-12(15(22)23)18-17(26)19-13(16(24)25)8-10-4-3-5-11(7-10)14(20)21/h3-5,7,9,12-13H,6,8H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)(H2,18,19,26)/t12-,13-/m0/s1