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4-[({N-[2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-3-phenylpropanoyl]phenylalanyl}amino)methyl]cyclohexanecarboxylic acid

Catalog ID
STL058215
SMILES O=C(C(NC(=O)C(n1c(=O)[nH]c2c(c1=O)cccc2)Cc1ccccc1)Cc1ccccc1)NCC1CCC(CC1)C(=O)O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C34H36N4O6 MW 596.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H36N4O6/c39-30(35-21-24-15-17-25(18-16-24)33(42)43)28(19-22-9-3-1-4-10-22)36-31(40)29(20-23-11-5-2-6-12-23)38-32(41)26-13-7-8-14-27(26)37-34(38)44/h1-14,24-25,28-29H,15-21H2,(H,35,39)(H,36,40)(H,37,44)(H,42,43)
InChIKey
WNFIRIBROSHPPQ-UHFFFAOYSA-N
Synonyms

(1S4r)4(((S)2((R)2(24dioxo12dihydroquinazolin3(4H)yl)3phenylpropanamido)3phenylpropanamido)methyl)cyclohexanecarboxylicacid
4(((2((2(24dioxo1Hquinazolin3yl)3phenylpropanoyl)amino)3phenylpropanoyl)amino)methyl)cyclohexane1carboxylicacid
4(((N(2(24dioxo14dihydroquinazolin3(2H)yl)3phenylpropanoyl)phenylalanyl)amino)methyl)cyclohexanecarboxylicacid
C1CC(CCC1CNC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5NC4=O)C(=O)O
InChI=1SC34H36N4O6c3930(352124151725(181624)33(42)43)28(192293141022)3631(40)29(2023115261223)3832(41)2613781427(26)3734(38)44h11424252829H1521H2(H3539)(H3640)(H3744)(H4243)
MFCD07638029
O=C((C@@H)(NC(=O)(C@H)(n1c(=O)(nH)c2c(c1=O)cccc2)Cc1ccccc1)Cc1ccccc1)NCC1CC(C@H)(CC1)C(=O)O
O=C(C(NC(=O)C(n1c(=O)(nH)c2c(c1=O)cccc2)Cc1ccccc1)Cc1ccccc1)NCC1CCC(CC1)C(=O)O
ZINC000101367158
ZINC000102899506

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Available files

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