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

Catalog ID
STL547493
SMILES CC[C@H]([C@@H](C(=O)O)NC(=O)[C@H](C(C)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 C32H43N3O8 MW 597.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H43N3O8/c1-9-17(4)28(32(39)40)35-31(38)27(16(2)3)34-23-13-11-20-21(15-24(23)37)22(33-18(5)36)12-10-19-14-25(41-6)29(42-7)30(43-8)26(19)20/h11,13-17,22,27-28H,9-10,12H2,1-8H3,(H,33,36)(H,34,37)(H,35,38)(H,39,40)/t17-,22+,27+,28+/m1/s1
InChIKey
SKLQNUFSHDVXOT-WSZNKNOJSA-N
Synonyms

(2~(S)3~(R))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)amino)3methylpentanoicacid
(2S3R)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamido)3methylpentanoicacid
110206136
CC(C@H)((C@@H)(C(=O)O)NC(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC32H43N3O8c1917(4)28(32(39)40)3531(38)27(16(2)3)342313112021(1524(23)37)22(3318(5)36)1210191425(416)29(427)30(438)26(19)20h111317222728H91012H218H3(H3336)(H3437)(H3538)(H3940)t1722+27+28+m1s1
N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LvalylLisoleucine
ZINC000253412900
ZINC253412900

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Available files

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