 Home > Encyclopedia > 3-Pyridinylmethyl (3S,5S,6S,9S)-5-hydroxy-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-13-(2-pyridinyl)-12-oxa-2,7,10-triazatridecanoate

3-Pyridinylmethyl (3S,5S,6S,9S)-5-hydroxy-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-13-(2-pyridinyl)-12-oxa-2,7,10-triazatridecanoate

3-Pyridinylmethyl (3S,5S,6S,9S)-5-hydroxy-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-13-(2-pyridinyl)-12-oxa-2,7,10-triazatridecanoate structure

CAS No:
144141-97-9
Formula:
C37H43N5O6
Chemical Name:
3-Pyridinylmethyl (3S,5S,6S,9S)-5-hydroxy-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-13-(2-pyridinyl)-12-oxa-2,7,10-triazatridecanoate
Synonyms:
12-Oxa-2,7,10-triazatridecanoic acid,5-hydroxy-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-13-(2-pyridinyl)-,3-pyridinylmethyl ester,(3S,5S,6S,9S)-;2-Oxa-4,7,12-triazatridecan-13-oic acid,9-hydroxy-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-1-(2-pyridinyl)-,3-pyridinylmethyl ester,[5S-(5R*,8R*,9R*,11R*)]-;2-Oxa-4,7,12-triazatridecan-13-oic acid,9-hydroxy-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-1-(2-pyridinyl)-,3-pyridinylmethyl ester,(5S,8S,9S,11S)-;3-Pyridinylmethyl (3S,5S,6S,9S)-5-hydroxy-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-13-(2-pyridinyl)-12-oxa-2,7,10-triazatridecanoate;A 80987;Ro 32-2175

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Description

A 80987 is an amino acid amide.

3-Pyridinylmethyl (3S,5S,6S,9S)-5-hydroxy-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-13-(2-pyridinyl)-12-oxa-2,7,10-triazatridecanoate Basic Attributes

Molecular Weight：

653.76700

Exact Mass：

653.77

UNII：

145DTK1W1Y

DSSTox ID：

DTXSID10162623

Characteristics

PSA：

162.24000

XLogP3：

5.99270

Density：

1.221g/cm3

Boiling Point：

896.9ºC at 760mmHg

Flash Point：

496.2ºC

Refractive Index：

1.592

Vapor Pressure：

1.37E-34mmHg at 25°C

Drug Information

MeSH Entry Terms：

A 80987

Computed Properties

Molecular Weight:653.8
XLogP3:5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:18
Exact Mass:653.32133411
Monoisotopic Mass:653.32133411
Topological Polar Surface Area:152
Heavy Atom Count:48
Complexity:957
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Pyridinylmethyl (3S,5S,6S,9S)-5-hydroxy-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-13-(2-pyridinyl)-12-oxa-2,7,10-triazatridecanoate

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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