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N-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]glycyl-N-(3-carboxypropyl)-D-isoleucinamide

Catalog ID
STL529718
SMILES CC[C@@H]([C@H](C(=O)NCCCC(=O)O)NC(=O)CNC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2)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 C31H39N3O8 MW 581.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N3O8/c1-4-17(2)29(30(39)32-13-7-10-28(37)38)34-27(36)16-33-26(35)12-11-19-18(3)21-14-22-20-8-5-6-9-23(20)41-25(22)15-24(21)42-31(19)40/h14-15,17,29H,4-13,16H2,1-3H3,(H,32,39)(H,33,35)(H,34,36)(H,37,38)/t17-,29+/m0/s1
InChIKey
AJOCZLZCHHIAPX-SFNQZPIRSA-N
Synonyms
956822-68-7
16405799
4(((2~(R)3~(S))3methyl2((2(3(4methyl2oxo6789tetrahydro(1)benzofuro(32g)chromen3yl)propanoylamino)acetyl)amino)pentanoyl)amino)butanoicacid
4((2R3S)3methyl2(2(3(4methyl2oxo6789tetrahydro2Hbenzofuro(32g)chromen3yl)propanamido)acetamido)pentanamido)butanoicacid
956822687
CC(C@@H)((C@H)(C(=O)NCCCC(=O)O)NC(=O)CNC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2)C
InChI=1SC31H39N3O8c1417(2)29(30(39)321371028(37)38)3427(36)163326(35)12111918(3)21142220856923(20)4125(22)1524(21)4231(19)40h14151729H41316H213H3(H3239)(H3335)(H3436)(H3738)t1729+m0s1
MFCD07637226
N(3(4methyl2oxo6789tetrahydro2H(1)benzofuro(32g)chromen3yl)propanoyl)glycylN(3carboxypropyl)Disoleucinamide
ZINC000070705757
ZINC70705757

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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