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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(3-methoxypropyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-L-isoleucinamide

Catalog ID
STL549696
SMILES COCCCN(C(=O)[C@H]([C@@H](CC)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C[C@@H]1CCCN2[C@@H]1CCCC2

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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 C41H60N4O7 MW 720.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H60N4O7/c1-8-26(2)38(41(48)45(21-12-22-49-4)25-29-13-11-20-44-19-10-9-14-34(29)44)43-33-18-16-30-31(24-35(33)47)32(42-27(3)46)17-15-28-23-36(50-5)39(51-6)40(52-7)37(28)30/h16,18,23-24,26,29,32,34,38H,8-15,17,19-22,25H2,1-7H3,(H,42,46)(H,43,47)
InChIKey
ANKZXIMZBGQTDU-LUZOJMLRSA-N
Synonyms

(2~(S)3~(R))~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3methoxypropyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3methoxypropyl)3methylN(((1S9aR)octahydro1Hquinolizin1yl)methyl)pentanamide
127252587
COCCCN(C(=O)(C@H)((C@@H)(CC)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C(C@@H)1CCCN2(C@@H)1CCCC2
InChI=1SC41H60N4O7c1826(2)38(41(48)45(211222494)252913112044191091434(29)44)433318163031(2435(33)47)32(4227(3)46)1715282336(505)39(516)40(527)37(28)30h161823242629323438H81517192225H217H3(H4246)(H4347)t2629+32+3438+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3methoxypropyl)N((1S9aR)octahydro2Hquinolizin1ylmethyl)Lisoleucinamide
ZINC000604404049
ZINC604404049

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Available files

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