ITF-2984 DIACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C63H73N9O12.2C2H4O2
Molecular Weight	1268.4107
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.CC(O)=O.COC1=CC2=C(C=C1C[C@H]3NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@@H]5C[C@H](CN5C(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CC7=CC=C(OCC8=CC=CC=C8)C=C7)NC(=O)[C@H](CCCCN)NC3=O)OC(=O)NCCN)C(OC)=CC=C2

InChI

InChIKey=IOUBGQIFAZTREM-UIIPWIOISA-N

InChI=1S/C63H73N9O12.2C2H4O2/c1-81-55-18-11-16-43-35-56(82-2)44(33-48(43)55)34-52-60(77)67-49(17-9-10-27-64)57(74)68-50(31-41-21-25-46(26-22-41)83-38-42-14-7-4-8-15-42)59(76)71-53(32-39-12-5-3-6-13-39)62(79)72-37-47(84-63(80)66-29-28-65)36-54(72)61(78)70-51(58(75)69-52)30-40-19-23-45(73)24-20-40;2*1-2(3)4/h3-8,11-16,18-26,33,35,47,49-54,73H,9-10,17,27-32,34,36-38,64-65H2,1-2H3,(H,66,80)(H,67,77)(H,68,74)(H,69,75)(H,70,78)(H,71,76);2*1H3,(H,3,4)/t47-,49+,50+,51+,52-,53+,54+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C63H73N9O12
Molecular Weight	1148.3068
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:23:40 GMT 2025` Edited by `admin` on `Wed Apr 02 21:23:40 GMT 2025`
Record UNII	4VDH8G6C32
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ITF-2984 DIACETATE

Code

English

ITF2984 Diacetate

Preferred Name

English

Cyclo[3-(3,8-dimethoxy-2-naphthalenyl)-D-alanyl-L-lysyl-O-(phenylmethyl)-L-tyrosyl-L-phenylalanyl-(4R)-4-[[[(2-aminoethyl)amino]carbonyl]oxy]-L-prolyl-L-tyrosyl] diacetate

Systematic Name

English

Code System Code Type Description

FDA UNII

4VDH8G6C32

Created by admin on Wed Apr 02 21:23:40 GMT 2025 , Edited by admin on Wed Apr 02 21:23:40 GMT 2025

PRIMARY

PUBCHEM

171390274

Created by admin on Wed Apr 02 21:23:40 GMT 2025 , Edited by admin on Wed Apr 02 21:23:40 GMT 2025

PRIMARY

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