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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-valyl-L-tryptophanate

Catalog ID
STL544222
SMILES COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](C(C)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 C38H44N4O8 MW 684.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H44N4O8/c1-20(2)34(37(45)42-30(38(46)50-7)16-23-19-39-27-11-9-8-10-24(23)27)41-29-15-13-25-26(18-31(29)44)28(40-21(3)43)14-12-22-17-32(47-4)35(48-5)36(49-6)33(22)25/h8-11,13,15,17-20,28,30,34,39H,12,14,16H2,1-7H3,(H,40,43)(H,41,44)(H,42,45)/t2
InChIKey
JEGHBRCNRCSQNW-BVRIVJPRSA-N
Synonyms

(S)methyl2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamido)3(1Hindol3yl)propanoate
110206437
COC(=O)(C@H)(Cc1c(nH)c2c1cccc2)NC(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC38H44N4O8c120(2)34(37(45)4230(38(46)507)162319392711981024(23)27)412915132526(1831(29)44)28(4021(3)43)1412221732(474)35(485)36(496)33(22)25h8111315172028303439H121416H217H3(H4043)(H4144)(H4245)t283034m0s1
methyl(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)amino)3(1~(H)indol3yl)propanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LvalylLtryptophanate
ZINC000253406738
ZINC253406738

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Available files

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