Home > Product Catalog > All > L-Cysteine, N-acetyl-, [2-[[2-(acetylamino)-2-carboxyethyl]thio]-1-carboxypropyl]carbamodithioate (ester), 4'-ester with 5-[6-O-acetyl-3-O-[2,6-dideoxy-3-O-methyl-4-C-[1-(1-oxobutoxy)ethyl]-α-L-lyxo-hexopyranosyl]-β-D-allopyranosyl]-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexene-1-carboxylic acid (9CI)

L-Cysteine, N-acetyl-, [2-[[2-(acetylamino)-2-carboxyethyl]thio]-1-carboxypropyl]carbamodithioate (ester), 4'-ester with 5-[6-O-acetyl-3-O-[2,6-dideoxy-3-O-methyl-4-C-[1-(1-oxobutoxy)ethyl]-α-L-lyxo-hexopyranosyl]-β-D-allopyranosyl]-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexene-1-carboxylic acid (9CI)

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Catalog No. : NC22574

CAS No. : 127319-29-3

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Molecular Formula : C₄₃H₆₂N₄O₂₃S₃

Chemical Name : L-Cysteine, N-acetyl-, [2-[[2-(acetylamino)-2-carboxyethyl]thio]-1-carboxypropyl]carbamodithioate (ester), 4'-ester with 5-[6-O-acetyl-3-O-[2,6-dideoxy-3-O-methyl-4-C-[1-(1-oxobutoxy)ethyl]-α-L-lyxo-hexopyranosyl]-β-D-allopyranosyl]-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexene-1-carboxylic acid (9CI)

Molecular Weight : 1,099.16

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Basic information

Standard English name
Cas No.	127319-29-3
Alias	L-Cysteine, N-acetyl-, [2-[[2-(acetylamino)-2-carboxyethyl]thio]-1-carboxypropyl]carbamodithioate (ester), 4'-ester with 5-[6-O-acetyl-3-O-[2,6-dideoxy-3-O-methyl-4-C-[1-(1-oxobutoxy)ethyl]-α-L-lyxo-hexopyranosyl]-β-D-allopyranosyl]-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexene-1-carboxylic acid (9CI)
Canonical Smiles	COC1CC(OC(C)C1(O)C(C)OC(=O)CCC)OC1C(OC(=O)C(NC(=S)SCC(NC(C)=O)C(O)=O)C(C)SCC(NC(C)=O)C(O)=O)C(COC(C)=O)OC(C1O)C1(O)CC(=O)C(N)=C(C1=O)C(O)=O
MDL No.
Exact Mass	1,098.29670
Smiles	O=C(O)C=1C(=O)C(O)(CC(=O)C1N)C2OC(COC(=O)C)C(OC(=O)C(NC(=S)SCC(NC(=O)C)C(=O)O)C(SCC(NC(=O)C)C(=O)O)C)C(OC3OC(C)C(O)(C(OC(=O)CCC)C)C(OC)C3)C2O

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Inchi	InChI=1S/C43H62N4O23S3/c1-9-10-27(52)66-17(3)43(63)18(4)67-28(11-26(43)64-8)69-34-32(53)36(42(62)12-24(51)30(44)29(35(42)54)39(59)60)68-25(13-65-21(7)50)33(34)70-40(61)31(16(2)72-14-22(37(55)56)45-19(5)48)47-41(71)73-15-23(38(57)58)46-20(6)49/h16-18,22-23,25-26,28,31-34,36,53,62-63H,9-15,44H2,1-8H3,(H,45,48)(H,46,49)(H,47,71)(H,55,56)(H,57,58)(H,59,60)
InchiKey	WTJOALPFBDNSHJ-UHFFFAOYSA-N
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