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tert-butyl {(4R,6R)-6-[2-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-alanyl}amino)ethyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetate

Catalog ID
STL551321
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)NCC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(O1)(C)C)C)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 C38H53N3O10 MW 711.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H53N3O10/c1-21(36(45)39-16-15-24-18-25(50-38(6,7)49-24)19-32(44)51-37(3,4)5)40-29-14-12-26-27(20-30(29)43)28(41-22(2)42)13-11-23-17-31(46-8)34(47-9)35(48-10)33(23)26/h12,14,17,20-21,24-25,28H,11,13,15-16,18-19H2,1-10H3,(H,39,45)(H,40,43)(H,41,
InChIKey
AJZWLNFZGPMVQI-NICBNDDISA-N
Synonyms

~(tert)butyl2((4~(R)6~(R))6(2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)propanoyl)amino)ethyl)22dimethyl13dioxan4yl)acetate
127253077
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)N(C@H)(C(=O)NCC(C@@H)1C(C@H)(CC(=O)OC(C)(C)C)OC(O1)(C)C)C)NC(=O)C
InChI=1SC38H53N3O10c121(36(45)391615241825(5038(67)4924)1932(44)5137(34)5)402914122627(2030(29)43)28(4122(2)42)1311231731(468)34(479)35(4810)33(23)26h1214172021242528H111315161819H2110H3(H3945)(H4043)(H4142)t2124+25+28m0s1
tertbutyl((4R6R)6(2((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lalanyl)amino)ethyl)22dimethyl13dioxan4yl)acetate
tertbutyl2((4R6R)6(2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanamido)ethyl)22dimethyl13dioxan4yl)acetate
ZINC000604404260
ZINC604404260

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Available files

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