(2R)-2-Acetamido-3-[(1-hydroxy-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl)methylsulfanyl]propanoic acid

CAS

91776-47-5

Catalog Number

ACM91776475

Category

Other Products

Molecular Weight

409.41 g/mol

Molecular Formula

C₁₈H₁₉NO₈S

MSDS COA Spec Sheet

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Specification

Synonyms

Fibrostatin C, C18H19NO8S, CID56296, LS-58990, L-Cysteine, N-acetyl-S-((5,8-dihydro-1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthalenyl)methyl)-, N-Acetyl-S-((5,8-dihydro-1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthalenyl)methyl)-L-cysteine, 91776-47-5

IUPAC Name

(2R)-2-acetamido-3-[(1-hydroxy-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl)methylsulfanyl]propanoic acid

InChI Key

PBMJDDQAEYEYKK-NSHDSACASA-N

Boiling Point

796.6ºC at 760mmHg

Flash Point

435.6ºC

Density

1.48g/cm³

Exact Mass

409.08300

H-Bond Acceptor

H-Bond Donor

What is the IUPAC name of the molecule?

(2R)-2-acetamido-3-[(1-hydroxy-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl)methylsulfanyl]propanoic acid.

What is the molecular formula of the molecule?

C18H19NO8S.

What are the synonyms of the molecule?

Fibrostatin C, 91776-47-5, N-acetyl-S-((1-hydroxy-3,6-dimethoxy-5,8-dioxo-5,8-dihydronaphthalen-2-yl)methyl)-L-cysteine, N-Acetyl-S-((5,8-dihydro-1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthalenyl)methyl)-L-cysteine.

What is the molecular weight of the molecule?

409.4 g/mol.

When was the molecule created?

The molecule was created on August 8, 2005.

When was the molecule last modified?

The molecule was last modified on December 30, 2023.

What is the InChI of the molecule?

InChI=1S/C18H19NO8S/c1-8(20)19-11(18(24)25)7-28-6-10-13(26-2)4-9-15(17(10)23)12(21)5-14(27-3)16(9)22/h4-5,11,23H,6-7H2,1-3H3,(H,19,20)(H,24,25)/t11-/m0/s1.

What is the InChIKey of the molecule?

PBMJDDQAEYEYKK-NSHDSACASA-N.

What is the Canonical SMILES of the molecule?

CC(=O)NC(CSCC1=C(C=C2C(=C1O)C(=O)C=C(C2=O)OC)OC)C(=O)O.

What is the CAS number of the molecule?

91776-47-5.

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