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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-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}-L-isoleucinamide

Catalog ID
STL549785
SMILES COc1ccc(cc1)CCc1nnc(s1)NC(=O)[C@H]([C@@H](CC)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C38H45N5O7S MW 715.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H45N5O7S/c1-8-21(2)34(37(46)41-38-43-42-32(51-38)18-11-23-9-13-25(47-4)14-10-23)40-29-17-15-26-27(20-30(29)45)28(39-22(3)44)16-12-24-19-31(48-5)35(49-6)36(50-7)33(24)26/h9-10,13-15,17,19-21,28,34H,8,11-12,16,18H2,1-7H3,(H,39,44)(H,40,45)(H,41,
InChIKey
RKAJQDPQMTVPOP-VXNMCKACSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(2(4methoxyphenyl)ethyl)134thiadiazol2yl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5(4methoxyphenethyl)134thiadiazol2yl)3methylpentanamide
127253692
COc1ccc(cc1)CCc1nnc(s1)NC(=O)(C@H)((C@@H)(CC)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC38H45N5O7Sc1821(2)34(37(46)4138434232(5138)18112391325(474)141023)402917152627(2030(29)45)28(3922(3)44)1612241931(485)35(496)36(507)33(24)26h91013151719212834H811121618H217H3(H3944)(H4045)(H414346)t2128+34+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(5(2(4methoxyphenyl)ethyl)134thiadiazol2yl)Lisoleucinamide
ZINC000604404739
ZINC604404739

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Available files

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