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

Catalog ID
STL544357
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)NCCNC(=O)OC(C)(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 C31H42N4O8 MW 598.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H42N4O8/c1-17(29(38)32-13-14-33-30(39)43-31(3,4)5)34-23-12-10-20-21(16-24(23)37)22(35-18(2)36)11-9-19-15-25(40-6)27(41-7)28(42-8)26(19)20/h10,12,15-17,22H,9,11,13-14H2,1-8H3,(H,32,38)(H,33,39)(H,34,37)(H,35,36)/t17-,22-/m0/s1
InChIKey
VAABOEZIIMOVEQ-JTSKRJEESA-N
Synonyms
1574392-48-5
~(tert)butyl~(N)(2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)propanoyl)amino)ethyl)carbamate
1574392485
75491108
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)N(C@H)(C(=O)NCCNC(=O)OC(C)(C)C)C)NC(=O)C
InChI=1SC31H42N4O8c117(29(38)3213143330(39)4331(34)5)342312102021(1624(23)37)22(3518(2)36)119191525(406)27(417)28(428)26(19)20h1012151722H9111314H218H3(H3238)(H3339)(H3437)(H3536)t1722m0s1
tertbutyl(2((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lalanyl)amino)ethyl)carbamate
tertbutyl(2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanamido)ethyl)carbamate
ZINC000108447703
ZINC108447703

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Available files

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