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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[5-(tetrahydrofuran-2-yl)-1,3,4-thiadiazol-2-yl]-L-isoleucinamide

Catalog ID
STL551252
SMILES CC[C@H]([C@@H](C(=O)Nc1nnc(s1)C1CCCO1)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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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 C33H41N5O7S MW 651.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41N5O7S/c1-7-17(2)28(31(41)36-33-38-37-32(46-33)25-9-8-14-45-25)35-23-13-11-20-21(16-24(23)40)22(34-18(3)39)12-10-19-15-26(42-4)29(43-5)30(44-6)27(19)20/h11,13,15-17,22,25,28H,7-10,12,14H2,1-6H3,(H,34,39)(H,35,40)(H,36,38,41)/t17-,22+,25?,28+
InChIKey
UZLRCUAPGYUFMB-GKSYPHERSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(5(oxolan2yl)134thiadiazol2yl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(5(tetrahydrofuran2yl)134thiadiazol2yl)pentanamide
127253969
CC(C@H)((C@@H)(C(=O)Nc1nnc(s1)C1CCCO1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H41N5O7Sc1717(2)28(31(41)3633383732(4633)2598144525)352313112021(1624(23)40)22(3418(3)39)1210191526(424)29(435)30(446)27(19)20h11131517222528H7101214H216H3(H3439)(H3540)(H363841)t1722+25?28+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(5(tetrahydrofuran2yl)134thiadiazol2yl)Lisoleucinamide
ZINC000604406386
ZINC000604406387

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Available files

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