(S,E)-2-(3-(2-(tert-butoxycarbonylamino)-7-methoxy-7-oxohept-5-enamido)-2-oxopyridin-1(2H)-yl)acetic acid

HCID 89925798
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Basic information

Standard SMILES
COC(=O)/C=C/CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccn(CC(=O)O)c1=O
InChIKey
ABTMSELVUWCXMZ-PPOCWRSBSA-N
Molecular formula
C20H27N3O8
Average molar mass
437.4 g/mol

Names & identifiers

Preferred name
(S,E)-2-(3-(2-(tert-butoxycarbonylamino)-7-methoxy-7-oxohept-5-enamido)-2-oxopyridin-1(2H)-yl)acetic acid
IUPAC
2-[3-[[(E,2S)-7-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxohept-5-enoyl]amino]-2-oxo-1-pyridinyl]acetic acid

Names & synonyms

SCHEMBL15418478ABTMSELVUWCXMZ-PPOCWRSBSA-N(S,E)-2-(3-(2-(tert-butoxycarbonylamino)-7-methoxy-7-oxohept-5-enamido)-2-oxopyridin-1(2H)-yl)acetic acid

Database identifiers

PubChem CID
89925798

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
151 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
12
Heavy atoms
31

Related reactions

1 records
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Compound notes

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