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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-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-L-isoleucinamide

Catalog ID
STL549608
SMILES CC[C@H]([C@@H](C(=O)NCCCc1onc(n1)C)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 C33H43N5O7 MW 621.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43N5O7/c1-8-18(2)30(33(41)34-15-9-10-28-35-19(3)38-45-28)37-25-14-12-22-23(17-26(25)40)24(36-20(4)39)13-11-21-16-27(42-5)31(43-6)32(44-7)29(21)22/h12,14,16-18,24,30H,8-11,13,15H2,1-7H3,(H,34,41)(H,36,39)(H,37,40)/t18-,24+,30+/m1/s1
InChIKey
YPKTWLZTNQBCFL-RWVMMXNJSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(3(3methyl124oxadiazol5yl)propyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(3(3methyl124oxadiazol5yl)propyl)pentanamide
127253708
CC(C@H)((C@@H)(C(=O)NCCCc1onc(n1)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H43N5O7c1818(2)30(33(41)3415910283519(3)384528)372514122223(1726(25)40)24(3620(4)39)1311211627(425)31(436)32(447)29(21)22h121416182430H8111315H217H3(H3441)(H3639)(H3740)t1824+30+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(3methyl124oxadiazol5yl)propyl)Lisoleucinamide
ZINC000604405288
ZINC604405288

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Available files

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