INDIUM IN-111 PENTETREOTIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C63H83N13O19S2.In.H
Molecular Weight	1506.365
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of INDIUM IN-111 PENTETREOTIDE

Structure Search

SMILES

[H+].[In+3].[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN(CCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O)CC([O-])=O)[C@@H](C)O

InChI

InChIKey=ONJXCGCIKIYAPL-KUUVKUFMSA-K

InChI=1S/C63H87N13O19S2.In/c1-37(78)48(34-77)70-62(94)50-36-97-96-35-49(71-58(90)45(25-39-13-5-3-6-14-39)66-51(80)29-75(31-53(83)84)23-21-74(30-52(81)82)22-24-76(32-54(85)86)33-55(87)88)61(93)68-46(26-40-15-7-4-8-16-40)59(91)69-47(27-41-28-65-43-18-10-9-17-42(41)43)60(92)67-44(19-11-12-20-64)57(89)73-56(38(2)79)63(95)72-50;/h3-10,13-18,28,37-38,44-50,56,65,77-79H,11-12,19-27,29-36,64H2,1-2H3,(H,66,80)(H,67,92)(H,68,93)(H,69,91)(H,70,94)(H,71,90)(H,72,95)(H,73,89)(H,81,82)(H,83,84)(H,85,86)(H,87,88);/q;+3/p-3/t37-,38-,44+,45-,46+,47-,48-,49+,50+,56+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	In
Molecular Weight	114.818
Charge	3
Count

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

Molecular Formula	H
Molecular Weight	1.0079
Charge	1
Count

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

Molecular Formula	C63H83N13O19S2
Molecular Weight	1390.539
Charge	-4
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:22:47 UTC 2023` Edited by `admin` on `Fri Dec 15 16:22:47 UTC 2023`
Record UNII	M312JJ6Z32
Record Status	`Validated (UNII)`
Record Version

Download

Related Record Type

ALTERNATIVE DEFINITION for [INDIUM IN-111 PENTETREOTIDE]

Alternative Definition

Name

Type

Language

INDIUM IN-111 PENTETREOTIDE

Common Name

English

PENTETREOTIDE 111IN CHELATE

Common Name

English

INDIUM IN 111 PENTETREOTIDE

Official Name

English

PENTETREOTIDE 111IN CHELATE [MI]

Common Name

English

Indium (111 in) pentetreotide [WHO-DD]

Common Name

English

INDIUM IN 111 PENTETREOTIDE [USAN]

Common Name

English

INDIUM-111 PENTETREOTIDE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2124