6-[[(4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[(4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]pyridine-3-carboxylic acid Openeye Name: 6-[[(4S)-4-(tert-butoxycarbonylamino)-5-methoxy-5-oxo-pentanoyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[[(4S)-5-methoxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,5-dioxopentyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[(4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]pyridine-3-carboxylic acid Traditional Name: 6-[[(4S)-4-(tert-butoxycarbonylamino)-5-keto-5-methoxy-pentanoyl]amino]nicotinic acid Formula: C17H23N3O7 MolecularWeight: 381.38042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)NC1=NC=C(C=C1)C(=O)O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)NC1=NC=C(C=C1)C(=O)O)C(=O)OC

InChI

InChI=1S/C17H23N3O7/c1-17(2,3)27-16(25)19-11(15(24)26-4)6-8-13(21)20-12-7-5-10(9-18-12)14(22)23/h5,7,9,11H,6,8H2,1-4H3,(H,19,25)(H,22,23)(H,18,20,21)/t11-/m0/s1