(2S)-4-methyl-2-[[(2S)-2-[(6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoyl]amino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[[(2S)-2-[(6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoyl]amino]pentanoate Openeye Name: (2S)-4-methyl-2-[[(2S)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[(2S)-1-oxo-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl)oxy]propyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[(2S)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoyl]amino]pentanoate Traditional Name: (2S)-2-[[(2S)-2-[(6-keto-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoyl]amino]-4-methyl-valerate Formula: C22H26NO6- MolecularWeight: 400.44494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)C(C)OC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])OC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2

InChI

InChI=1S/C22H27NO6/c1-12(2)10-18(21(25)26)23-20(24)13(3)28-14-8-9-16-15-6-4-5-7-17(15)22(27)29-19(16)11-14/h8-9,11-13,18H,4-7,10H2,1-3H3,(H,23,24)(H,25,26)/p-1/t13-,18-/m0/s1