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N-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-D-tryptophyl-D-alanine

Catalog ID
STL464129
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)N[C@@H](C(=O)N[C@@H](C(=O)O)C)Cc1c[nH]c2c1cccc2

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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 C33H35N3O7 MW 585.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35N3O7/c1-16-21-12-23-24(33(4,5)6)15-42-28(23)17(2)29(21)43-32(41)22(16)13-27(37)36-26(30(38)35-18(3)31(39)40)11-19-14-34-25-10-8-7-9-20(19)25/h7-10,12,14-15,18,26,34H,11,13H2,1-6H3,(H,35,38)(H,36,37)(H,39,40)/t18-,26-/m1/s1
InChIKey
KPMZCUIKKDNKIV-WXTAPIANSA-N
Synonyms

(2R)2(((2R)2((2(3tertbutyl59dimethyl7oxofuro(32g)chromen6yl)acetyl)amino)3(1Hindol3yl)propanoyl)amino)propanoicacid
(S)2((S)2(2(3(tertbutyl)59dimethyl7oxo7Hfuro(32g)chromen6yl)acetamido)3(1Hindol3yl)propanamido)propanoicacid
CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C(C)(C)C)CC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(C)C(=O)O
InChI=1SC33H35N3O7c11621122324(33(45)6)154228(23)17(2)29(21)4332(41)22(16)1327(37)3626(30(38)3518(3)31(39)40)11191434251087920(19)25h710121415182634H1113H216H3(H3538)(H3637)(H3940)t1826m1s1
MFCD10041632
N((3tertbutyl59dimethyl7oxo7Hfuro(32g)chromen6yl)acetyl)DtryptophylDalanine
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)N(C@@H)(C(=O)N(C@@H)(C(=O)O)C)Cc1c(nH)c2c1cccc2
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)N(C@H)(C(=O)N(C@H)(C(=O)O)C)Cc1c(nH)c2c1cccc2
ZINC000102496548
ZINC102496548

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Available files

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