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methyl N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-isoleucyl-L-tryptophanate

Catalog ID
STL545311
SMILES CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)OC)Cc1c[nH]c2c1cccc2)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 C39H46N4O8 MW 698.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H46N4O8/c1-8-21(2)35(38(46)43-31(39(47)51-7)17-24-20-40-28-12-10-9-11-25(24)28)42-30-16-14-26-27(19-32(30)45)29(41-22(3)44)15-13-23-18-33(48-4)36(49-5)37(50-6)34(23)26/h9-12,14,16,18-21,29,31,35,40H,8,13,15,17H2,1-7H3,(H,41,44)(H,42,45)(H,43,4
InChIKey
PMSFTGWKLIBSFG-NEFYYTKESA-N
Synonyms

(S)methyl2((2S3S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamido)3(1Hindol3yl)propanoate
110205945
CC(C@@H)((C@@H)(C(=O)N(C@H)(C(=O)OC)Cc1c(nH)c2c1cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC39H46N4O8c1821(2)35(38(46)4331(39(47)517)1724204028121091125(24)28)423016142627(1932(30)45)29(4122(3)44)1513231833(484)36(495)37(506)34(23)26h9121416182129313540H8131517H217H3(H4144)(H4245)(H4346)t21293135m0s1
methyl(2~(S))2(((2~(S)3~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)amino)3(1~(H)indol3yl)propanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LisoleucylLtryptophanate
ZINC000253411985
ZINC253411985

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Available files

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