(2-O-METHYLTYROSINE)OXYTOCIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H68N12O12S2
Molecular Weight	1021.214
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2-O-METHYLTYROSINE)OXYTOCIN

Structure Search

SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=C(OC)C=C2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O

InChI

InChIKey=WCTCYQXADOLLKF-CKNUHMDMSA-N

InChI=1S/C44H68N12O12S2/c1-6-23(4)36-43(66)50-27(13-14-33(46)57)39(62)52-30(18-34(47)58)40(63)54-31(44(67)56-15-7-8-32(56)42(65)53-28(16-22(2)3)38(61)49-19-35(48)59)21-70-69-20-26(45)37(60)51-29(41(64)55-36)17-24-9-11-25(68-5)12-10-24/h9-12,22-23,26-32,36H,6-8,13-21,45H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,66)(H,51,60)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t23-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C44H68N12O12S2
Molecular Weight	1021.214
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:12:27 GMT 2023` Edited by `admin` on `Sat Dec 16 10:12:27 GMT 2023`
Record UNII	4R26ER91Q8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2-O-METHYLTYROSINE)OXYTOCIN

Common Name

English

OXYTOCIN, 2-(3-(P-METHOXYPHENYL)-L-ALANINE)-

Common Name

English

OXYTOCIN, 2-(O-METHYL-L-TYROSINE)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10181531

Created by admin on Sat Dec 16 10:12:27 GMT 2023 , Edited by admin on Sat Dec 16 10:12:27 GMT 2023

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PUBCHEM

9833128

Created by admin on Sat Dec 16 10:12:27 GMT 2023 , Edited by admin on Sat Dec 16 10:12:27 GMT 2023

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FDA UNII

4R26ER91Q8

Created by admin on Sat Dec 16 10:12:27 GMT 2023 , Edited by admin on Sat Dec 16 10:12:27 GMT 2023

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CAS

2706-70-9

Created by admin on Sat Dec 16 10:12:27 GMT 2023 , Edited by admin on Sat Dec 16 10:12:27 GMT 2023

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