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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-isoleucyl}-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Catalog ID
STL549217
SMILES CC[C@H]([C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC)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 C38H46N4O7 MW 670.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N4O7/c1-8-21(2)34(38(46)42-20-25-12-10-9-11-23(25)17-30(42)37(45)39-4)41-29-16-14-26-27(19-31(29)44)28(40-22(3)43)15-13-24-18-32(47-5)35(48-6)36(49-7)33(24)26/h9-12,14,16,18-19,21,28,30,34H,8,13,15,17,20H2,1-7H3,(H,39,45)(H,40,43)(H,41,44)/
InChIKey
PYHBTCLPFOJVLC-LLEZRNJPSA-N
Synonyms

(3~(S))2((2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)~(N)methyl34dihydro1~(H)isoquinoline3carboxamide
(3S)2(N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lisoleucyl)Nmethyl1234tetrahydroisoquinoline3carboxamide
(S)2((2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanoyl)Nmethyl1234tetrahydroisoquinoline3carboxamide
121541845
CC(C@H)((C@@H)(C(=O)N1Cc2ccccc2C(C@H)1C(=O)NC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC38H46N4O7c1821(2)34(38(46)422025121091123(25)1730(42)37(45)394)412916142627(1931(29)44)28(4022(3)43)1513241832(475)35(486)36(497)33(24)26h9121416181921283034H813151720H217H3(H3945)(H4043)(H4144)t2128+30+34+m1s1
ZINC000263586095
ZINC263586095

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Available files

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