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

Systemtic Name: 3-[(2S)-2-[[(2S)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid Openeye Name: 3-[(2S)-3-hydroxy-2-[[(1S)-1-methoxycarbonyl-3-methyl-butyl]carbamoylamino]-3-oxo-propyl]benzoic acid CAS Name: 3-[(2S)-3-hydroxy-2-[[[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]amino]-3-oxopropyl]benzoic acid IUPAC Name: 3-[(2S)-3-hydroxy-2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoylamino]-3-oxopropyl]benzoic acid Traditional Name: 3-[(2S)-2-[[(1S)-1-carbomethoxy-3-methyl-butyl]carbamoylamino]-3-hydroxy-3-keto-propyl]benzoic acid Formula: C18H24N2O7 MolecularWeight: 380.39236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O7/c1-10(2)7-14(17(25)27-3)20-18(26)19-13(16(23)24)9-11-5-4-6-12(8-11)15(21)22/h4-6,8,10,13-14H,7,9H2,1-3H3,(H,21,22)(H,23,24)(H2,19,20,26)/t13-,14-/m0/s1