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N-[(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-D-valyl-S-benzyl-D-cysteine

Catalog ID
STL463976
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)N[C@@H](C(=O)N[C@@H](C(=O)O)CSCc1ccccc1)C(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 C32H36N2O7S MW 592.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N2O7S/c1-16(2)27(30(36)33-25(31(37)38)15-42-14-21-10-8-7-9-11-21)34-26(35)13-24-18(4)23-12-22-17(3)20(6)40-28(22)19(5)29(23)41-32(24)39/h7-12,16,25,27H,13-15H2,1-6H3,(H,33,36)(H,34,35)(H,37,38)/t25-,27-/m1/s1
InChIKey
DQSFJSGTCYTDJN-XNMGPUDCSA-N
Synonyms

(2S)3benzylsulfanyl2(((2R)3methyl2((2(2359tetramethyl7oxofuro(32g)chromen6yl)acetyl)amino)butanoyl)amino)propanoicacid
(R)3(benzylthio)2((S)3methyl2(2(2359tetramethyl7oxo7Hfuro(32g)chromen6yl)acetamido)butanamido)propanoicacid
CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2C)CC(=O)NC(C(C)C)C(=O)NC(CSCC4=CC=CC=C4)C(=O)O)C)C
InChI=1SC32H36N2O7Sc116(2)27(30(36)3325(31(37)38)15421421108791121)3426(35)132418(4)23122217(3)20(6)4028(22)19(5)29(23)4132(24)39h712162527H1315H216H3(H3336)(H3435)(H3738)t2527m1s1
MFCD10041577
N((2359tetramethyl7oxo7Hfuro(32g)chromen6yl)acetyl)DvalylSbenzylDcysteine
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)N(C@@H)(C(=O)N(C@@H)(C(=O)O)CSCc1ccccc1)C(C)C
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)N(C@H)(C(=O)N(C@H)(C(=O)O)CSCc1ccccc1)C(C)C
ZINC000102496932
ZINC102496932

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Available files

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