Benzyl-4-benzyloxycarbonyl-alpha-tritylamino-1-thia-3,8-diazaspiro[4.5]decane-2-acetic acid

HCID 54040992
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Basic information

Standard SMILES
O=C(OCc1ccccc1)C1NC(Cc2ccccc2)(C(NC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O)SC12CCNCC2
InChIKey
LMIAEUYPJHRWTG-UHFFFAOYSA-N
Molecular formula
C43H43N3O4S
Average molar mass
697.9 g/mol
Monoisotopic mass
697.29742803

Names & identifiers

Preferred name
Benzyl-4-benzyloxycarbonyl-alpha-tritylamino-1-thia-3,8-diazaspiro[4.5]decane-2-acetic acid
IUPAC
2-(2-benzyl-4-phenylmethoxycarbonyl-1-thia-3,8-diazaspiro[4.5]decan-2-yl)-2-(tritylamino)acetic acid

Names & synonyms

SCHEMBL11389000LMIAEUYPJHRWTG-UHFFFAOYSA-Nbenzyl-4-benzyloxycarbonyl-alpha- tritylamino-1-thia-3,8-diazaspiro[4.5 ]decane-2-acetic acid

Database identifiers

PubChem CID
54040992

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
125 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
13
Heavy atoms
51

Related reactions

2 records
New reaction record

Compound notes

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Benzyl-4-benzyloxycarbonyl-alpha-tritylamino-1-thia-3,8-diazaspiro[4.5]decane-2-acetic acid (HCID 54040992)｜Huagongshe