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(3S)-2-{N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-leucyl}-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Catalog ID
STL548593
SMILES CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(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 C38H46N4O7 MW 670.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N4O7/c1-21(2)16-30(38(46)42-20-25-11-9-8-10-23(25)17-31(42)37(45)39-4)41-29-15-13-26-27(19-32(29)44)28(40-22(3)43)14-12-24-18-33(47-5)35(48-6)36(49-7)34(24)26/h8-11,13,15,18-19,21,28,30-31H,12,14,16-17,20H2,1-7H3,(H,39,45)(H,40,43)(H,41,44)
InChIKey
YFUJYMBCYYZJCO-ASVWTAOFSA-N
Synonyms

(3~(S))2((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylpentanoyl)~(N)methyl34dihydro1~(H)isoquinoline3carboxamide
(3S)2(N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lleucyl)Nmethyl1234tetrahydroisoquinoline3carboxamide
(S)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4methylpentanoyl)Nmethyl1234tetrahydroisoquinoline3carboxamide
121541083
CNC(=O)(C@@H)1Cc2ccccc2CN1C(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)C
InChI=1SC38H46N4O7c121(2)1630(38(46)42202511981023(25)1731(42)37(45)394)412915132627(1932(29)44)28(4022(3)43)1412241833(475)35(486)36(497)34(24)26h8111315181921283031H1214161720H217H3(H3945)(H4043)(H4144)t283031m0s1
ZINC000263586812
ZINC263586812

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Available files

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