3-[[(4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]naphthalene-2-carboxylic acid

Systemtic Name: 3-[[(4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]naphthalene-2-carboxylic acid Openeye Name: 3-[[(4S)-4-(tert-butoxycarbonylamino)-5-methoxy-5-oxo-pentanoyl]amino]naphthalene-2-carboxylic acid CAS Name: 3-[[(4S)-5-methoxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,5-dioxopentyl]amino]-2-naphthalenecarboxylic acid IUPAC Name: 3-[[(4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]naphthalene-2-carboxylic acid Traditional Name: 3-[[(4S)-4-(tert-butoxycarbonylamino)-5-keto-5-methoxy-pentanoyl]amino]-2-naphthoic acid Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)NC1=CC2=CC=CC=C2C=C1C(=O)O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)NC1=CC2=CC=CC=C2C=C1C(=O)O)C(=O)OC

InChI

InChI=1S/C22H26N2O7/c1-22(2,3)31-21(29)24-16(20(28)30-4)9-10-18(25)23-17-12-14-8-6-5-7-13(14)11-15(17)19(26)27/h5-8,11-12,16H,9-10H2,1-4H3,(H,23,25)(H,24,29)(H,26,27)/t16-/m0/s1