2-[[5-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenyl-propanoic acid; quinoline-3-carboxamide

Systemtic Name: 2-[[5-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenyl-propanoic acid; quinoline-3-carboxamide Openeye Name: 2-[[5-amino-2-(tert-butoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoic acid; quinoline-3-carboxamide CAS Name: 2-[[5-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-3-phenylpropanoic acid; 3-quinolinecarboxamide IUPAC Name: 2-[[5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoic acid; quinoline-3-carboxamide Traditional Name: 2-[[5-amino-2-(tert-butoxycarbonylamino)pentanoyl]amino]-3-phenyl-propionic acid; quinoline-3-carboxamide Formula: C29H37N5O6 MolecularWeight: 551.63398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)O.C1=CC=C2C(=C1)C=C(C=N2)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)O.C1=CC=C2C(=C1)C=C(C=N2)C(=O)N

InChI

InChI=1S/C19H29N3O5.C10H8N2O/c1-19(2,3)27-18(26)22-14(10-7-11-20)16(23)21-15(17(24)25)12-13-8-5-4-6-9-13;11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h4-6,8-9,14-15H,7,10-12,20H2,1-3H3,(H,21,23)(H,22,26)(H,24,25);1-6H,(H2,11,13)