2-{(2S,3S)-2-[(R)-2-tert-butoxycarbonylamino-2-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetylamino]-3-phenyl-butyrylamino}-thiazole-4-carboxylic acid methyl ester

HCID 86603391
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1csc(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc3c(c2)OCCO3)[C@@H](C)c2ccccc2)n1
InChIKey
QDESTKGXVPCAOK-YRUKQIKQSA-N
Molecular formula
C30H34N4O8S
Average molar mass
610.7 g/mol

Names & identifiers

Preferred name
2-{(2S,3S)-2-[(R)-2-tert-butoxycarbonylamino-2-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetylamino]-3-phenyl-butyrylamino}-thiazole-4-carboxylic acid methyl ester
IUPAC
methyl 2-[[(2S,3S)-2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-phenylbutanoyl]amino]-1,3-thiazole-4-carboxylate

Names & synonyms

SCHEMBL4685603QDESTKGXVPCAOK-YRUKQIKQSA-N2-{(2S,3S)-2-[(R)-2-tert-butoxycarbonylamino-2-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetylamino]-3-phenyl-butyrylamino}-thiazole-4-carboxylic acid methyl ester

Database identifiers

PubChem CID
86603391

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
182 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
12
Heavy atoms
43

Related reactions

2 records
New reaction record

Linked notes

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