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4-chloro-N-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]phenylalanyl-N-(3-carboxypropyl)-D-valinamide

Catalog ID
STK585155
SMILES OC(=O)CCCNC(=O)[C@@H](C(C)C)NC(=O)C(NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C)Cc1ccc(cc1)Cl

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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 C34H38ClN3O8 MW 652.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38ClN3O8/c1-17(2)31(33(43)36-12-6-7-30(40)41)38-32(42)26(13-21-8-10-22(35)11-9-21)37-29(39)15-25-19(4)24-14-23-18(3)20(5)45-27(23)16-28(24)46-34(25)44/h8-11,14,16-17,26,31H,6-7,12-13,15H2,1-5H3,(H,36,43)(H,37,39)(H,38,42)(H,40,41)/t26?,31-/m1
InChIKey
JRIVFVGCYUMDCW-VALFACCDSA-N
Synonyms

4(((2R)2((3(4chlorophenyl)2((2(235trimethyl7oxofuro(32g)chromen6yl)acetyl)amino)propanoyl)amino)3methylbutanoyl)amino)butanoicacid
4((2R)2(3(4chlorophenyl)2(2(235trimethyl7oxo7Hfuro(32g)chromen6yl)acetamido)propanamido)3methylbutanamido)butanoicacid
4chloroN((235trimethyl7oxo7Hfuro(32g)chromen6yl)acetyl)phenylalanylN(3carboxypropyl)Dvalinamide
CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2)CC(=O)NC(CC4=CC=C(C=C4)Cl)C(=O)NC(C(C)C)C(=O)NCCCC(=O)O)C)C
InChI=1SC34H38ClN3O8c117(2)31(33(43)36126730(40)41)3832(42)26(132181022(35)11921)3729(39)152519(4)24142318(3)20(5)4527(23)1628(24)4634(25)44h8111416172631H67121315H215H3(H3643)(H3739)(H3842)(H4041)t26?31m1s1
MFCD10488124
OC(=O)CCCNC(=O)(C@@H)(C(C)C)NC(=O)C(NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C)Cc1ccc(cc1)Cl
ZINC000097957085
ZINC000097957086

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Available files

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