sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-{[(1S)-2,2-dimethylcyclopropyl]formamido}hept-2-enoate

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Compound number:
MolPort-003-983-864
CAS number: 81129-83-1
IUPAC:
sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-{[(1S)-2,2-dimethylcyclopropyl]formamido}hept-2-enoate
IUPAC traditional:
sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-{[(1S)-2,2-dimethylcyclopropyl]formamido}hept-2-enoate
SMILES:
[Na+].CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C([O-])=O |r|
InChI key:
QXPBTTUOVWMPJN-QBNHLFMHSA-M
Molecular formula:
C16H25N2NaO5S
Molecular weight: 380.43
Solubility: not available

Marketplace Offers

S&H to USA: 77.00 USD
S&H to World: 154.00 USD

Supplier Catalogue Data


Catalog: Building blocks Ships out: 10 business days Purity: > 98%
Last updated: > 3 months ago In warehouse: Unverified
Pack size Ships out Price Qty
10 mg July 24, 2020 124.61 USD
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More Information

Compound Identifiers
Compound number: MolPort-003-983-864
CAS number: 81129-83-1

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000004095696
CILASTATIN SODIUM
sodium (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-{[(1S)-2,2-dimethylcyclopropyl]formamido}hept-2-enoate

InChI
InChI: 1S/C16H26N2O5S.Na/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21;/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23);/q;+1/p-1/b12-6-;/t10-,11+;/m1./s1
InChI key: QXPBTTUOVWMPJN-QBNHLFMHSA-M

Calculated Properties
Molecular formula: C16H25N2NaO5S
Molecular weight: 380.43

Scaffolds

Other

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2020 MolPort, v3.77, release date 08-07-2020 16:00 (+0200). All rights reserved.
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