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A0773

Sigma-Aldrich

Angiotensin Converting Enzyme Inhibitor

≥95% (TLC)

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About This Item

Empirical Formula (Hill Notation):
C53H76N14O12
CAS Number:
35115-60-7
Molecular Weight:
1101.26
MDL number:
MFCD00076208
UNSPSC Code:
12352200
PubChem Substance ID:
329770629
NACRES:
NA.77

biological source

synthetic (organic)

Quality Level

200

Assay

≥95% (TLC)

form

powder

mol wt

~_1.1 kDa

solubility

water: soluble 1 mg/mL, clear, colorless

storage temp.

−20°C

SMILES string

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]5CCC(=O)N5)C(=O)N6CCC[C@H]6C(=O)N7CCC[C@H]7C(O)=O

InChI

1S/C53H76N14O12/c1-3-29(2)43(51(77)66-25-9-16-39(66)50(76)67-26-10-17-40(67)52(78)79)63-45(71)34(18-20-41(54)68)60-46(72)37-14-7-23-64(37)48(74)35(13-6-22-57-53(55)56)61-47(73)38-15-8-24-65(38)49(75)36(62-44(70)33-19-21-42(69)59-33)27-30-28-58-32-12-5-4-11-31(30)32/h4-5,11-12,28-29,33-40,43,58H,3,6-10,13-27H2,1-2H3,(H2,54,68)(H,59,69)(H,60,72)(H,61,73)(H,62,70)(H,63,71)(H,78,79)(H4,55,56,57)/t29-,33-,34-,35-,36-,37-,38-,39-,40-,43-/m0/s1

InChI key

UUUHXMGGBIUAPW-CSCXCSGISA-N

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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L M Guethe et al.
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