1-azanyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbonyl-3-naphthalen-2-yl-1-propanoyl-3H-isoindole-5-carboxylic acid

Systemtic Name: 1-azanyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbonyl-3-naphthalen-2-yl-1-propanoyl-3H-isoindole-5-carboxylic acid Openeye Name: 1-amino-2-(1-tert-butoxycarbonylpiperidine-4-carbonyl)-3-(2-naphthyl)-1-propanoyl-isoindoline-5-carboxylic acid CAS Name: 1-amino-2-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-oxomethyl]-3-(2-naphthalenyl)-1-(1-oxopropyl)-3H-isoindole-5-carboxylic acid IUPAC Name: 1-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]-3-naphthalen-2-yl-1-propanoyl-3H-isoindole-5-carboxylic acid Traditional Name: 1-amino-2-(1-tert-butoxycarbonylisonipecotoyl)-3-(2-naphthyl)-1-propionyl-isoindoline-5-carboxylic acid Formula: C33H37N3O6 MolecularWeight: 571.66338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(C2=C(C=C(C=C2)C(=O)O)C(N1C(=O)C3CCN(CC3)C(=O)OC(C)(C)C)C4=CC5=CC=CC=C5C=C4)N

Isomeric SMILES

CCC(=O)C1(C2=C(C=C(C=C2)C(=O)O)C(N1C(=O)C3CCN(CC3)C(=O)OC(C)(C)C)C4=CC5=CC=CC=C5C=C4)N

InChI

InChI=1S/C33H37N3O6/c1-5-27(37)33(34)26-13-12-24(30(39)40)19-25(26)28(23-11-10-20-8-6-7-9-22(20)18-23)36(33)29(38)21-14-16-35(17-15-21)31(41)42-32(2,3)4/h6-13,18-19,21,28H,5,14-17,34H2,1-4H3,(H,39,40)