(2S)-4-methyl-2-[[(2S)-3-phenyl-2-[[(3R)-3,4,4-trimethyl-1,2-dioxetan-3-yl]methoxycarbonylamino]propanoyl]amino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[[(2S)-3-phenyl-2-[[(3R)-3,4,4-trimethyl-1,2-dioxetan-3-yl]methoxycarbonylamino]propanoyl]amino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[[(2S)-3-phenyl-2-[[(3R)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoyl]amino]pentanoic acid CAS Name: (2S)-4-methyl-2-[[(2S)-1-oxo-2-[[oxo-[[(3R)-3,4,4-trimethyl-3-dioxetanyl]methoxy]methyl]amino]-3-phenylpropyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[[(2S)-3-phenyl-2-[[(3R)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoyl]amino]pentanoic acid Traditional Name: (2S)-4-methyl-2-[[(2S)-3-phenyl-2-[[(3R)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoyl]amino]valeric acid Formula: C22H32N2O7 MolecularWeight: 436.49868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2(C(OO2)(C)C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC[C@@]2(C(OO2)(C)C)C

InChI

InChI=1S/C22H32N2O7/c1-14(2)11-17(19(26)27)23-18(25)16(12-15-9-7-6-8-10-15)24-20(28)29-13-22(5)21(3,4)30-31-22/h6-10,14,16-17H,11-13H2,1-5H3,(H,23,25)(H,24,28)(H,26,27)/t16-,17-,22+/m0/s1