 Home > Encyclopedia > (4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid

(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid

(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid structure

CAS No:
122507-47-5
Formula:
C30H38ClN5O7S2
Chemical Name:
(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
Synonyms:
[D-Pen2,4'-Cl-Phe4,D-Pen5]enkephalin; cyclic[D-Pen2,4'-ClPhe4,D-Pen5]enkephalin; cyclo[D-Pen2-4'-Cl-Phe4,D-Pen5]enkephalin; Dpdp(Cl)E; [pCl-Phe4]-DPDPE; Enkephalin,pen(2,5)-4-chloro-phe(4); [D-Pen2,p-Cl-Phe4,D-Pen5]enkephalin; Pcl-dpdpe; (4s,7s,13s)-7-(4-chlorobenzyl)-3,3,14,14-tetramethyl-6,9,12-trioxo-13-(l-tyrosylamino)-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid;Expand

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(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid Basic Attributes

Molecular Weight：

680.23500

Exact Mass：

679.1901186 g/mol

DSSTox ID：

DTXSID30153634

Characteristics

PSA：

250.55000

XLogP3：

3.84310

Density：

1.42g/cm3

Boiling Point：

1052ºC

Flash Point：

590ºC

Refractive Index：

1.657

Storage Conditions：

-20ºC

Vapor Pressure：

0mmHg at 25°C

Drug Information

MeSH Entry Terms：

(D-Pen(2)-pCl-Phe(4)-D-Pen(5))enkephalin

Computed Properties

Molecular Weight:680.2
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:679.1901186
Monoisotopic Mass:679.1901186
Topological Polar Surface Area:251
Heavy Atom Count:45
Complexity:1080
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid

Basic Attributes
Characteristics
Drug Information
Computed Properties
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