Methyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl)oxy]carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]-D-alloisoleucinate

HCID 57722468

Basic information

Standard SMILES
CC[C@H](C)[C@H](C(=O)OC)N(C(=O)[C@H](NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(C(=O)Nc1ccccc1OCc1ccccc1)c1ccc(C)nc1C
InChIKey
YYRKLFYIWGDLKM-GUESRHDHSA-N
Molecular formula
C48H52N4O7
Average molar mass
796.9 g/mol

Names & identifiers

Preferred name
Methyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl)oxy]carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]-D-alloisoleucinate
IUPAC
methyl (2R,3S)-2-[[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-(phenylmethoxycarbonylamino)acetyl]-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]-3-methylpentanoate

Names & synonyms

SCHEMBL1598568SCHEMBL9975071YYRKLFYIWGDLKM-GUESRHDHSA-Nmethyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl) oxy]carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]-D-alloisoleucinatemethyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl) oxy]carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]D-alloisoleucinateMethyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl)oxy]carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]-D-alloisoleucinatemethyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl)oxy]carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]D-alloisoleucinate

Database identifiers

PubChem CID
57722468

Properties

Computed structural properties

XLogP
8.7
Topological polar surface area
136 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
18
Heavy atoms
59

Related reactions

9 records

Compound notes

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