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2,5,10,13-Tetraaza-7-phosphatetradecanedioic acid, 7,8-dihydroxy-3,12-bis(1-methylethyl)-4,11-dioxo-6,9-bis(phenylmethyl)-, bis(phenylmethyl) ester, 7-oxide

HCID 465617
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
146063-30-1
Standard SMILES
CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)P(=O)(O)C(Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C
InChIKey
GETYISFOACURQQ-UHFFFAOYSA-N
Molecular formula
C43H53N4O9P
Average molar mass
800.9 g/mol
Monoisotopic mass
800.35501628

Names & identifiers

Preferred name
2,5,10,13-Tetraaza-7-phosphatetradecanedioic acid, 7,8-dihydroxy-3,12-bis(1-methylethyl)-4,11-dioxo-6,9-bis(phenylmethyl)-, bis(phenylmethyl) ester, 7-oxide
IUPAC
[1-hydroxy-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropyl]-[1-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-phenylethyl]phosphinic acid

Names & synonyms

2,5,10,13-Tetraaza-7-phosphatetradecanedioic acid, 7,8-dihydroxy-3,12-bis(1-methylethyl)-4,11-dioxo-6,9-bis(phenylmethyl)-, bis(phenylmethyl) ester, 7-oxide146063-30-1

Database identifiers

CAS
146063-30-1
PubChem CID
465617

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
192 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
9
Rotatable bonds
21
Heavy atoms
57
Formal charge
0
Complexity
1,290

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes