NEOBOMB1 LU-177

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C77H107N18O18.Lu
Molecular Weight	1749.727
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[177Lu+3].CC(C)CC(CC(C)C)NC(=O)[C@H](CC1=CNC=N1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)COCC(=O)NC5=CC=C(CNC(=O)CN6CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC6)C=C5)C(C)C

InChI

InChIKey=QCSRNPBXYZCFIZ-QIFSQXIVSA-K

InChI=1S/C77H110N18O18.Lu/c1-47(2)31-55(32-48(3)4)86-75(110)62(35-56-38-79-46-83-56)87-64(97)39-82-77(112)71(49(5)6)91-72(107)50(7)84-74(109)61(34-53-37-80-58-16-12-11-15-57(53)58)90-73(108)59(21-22-63(78)96)89-76(111)60(33-51-13-9-8-10-14-51)88-67(100)45-113-44-66(99)85-54-19-17-52(18-20-54)36-81-65(98)40-92-23-25-93(41-68(101)102)27-29-95(43-70(105)106)30-28-94(26-24-92)42-69(103)104;/h8-20,37-38,46-50,55,59-62,71,80H,21-36,39-45H2,1-7H3,(H2,78,96)(H,79,83)(H,81,98)(H,82,112)(H,84,109)(H,85,99)(H,86,110)(H,87,97)(H,88,100)(H,89,111)(H,90,108)(H,91,107)(H,101,102)(H,103,104)(H,105,106);/q;+3/p-3/t50-,59-,60+,61-,62-,71-;/m0./s1/i;1+2

HIDE SMILES / InChI

Molecular Formula	C77H107N18O18
Molecular Weight	1572.7833
Charge	-3
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Lu
Molecular Weight	176.9438
Charge	3
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:45:37 GMT 2023` Edited by `admin` on `Sat Dec 16 14:45:37 GMT 2023`
Record UNII	U46D6MZM1V
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NEOBOMB1 LU-177

Common Name

English

[177LU]-NEOBOMB1

Code

English

(LU-177)-DOTA-PABZA-DIG-DPHE-GLU-TRP-ALA-VAL-GLY-HIS-NHCH(CH2CH(CH3)2)2

Systematic Name

English

Code System Code Type Description

SMS_ID

300000009205

Created by admin on Sat Dec 16 14:45:37 GMT 2023 , Edited by admin on Sat Dec 16 14:45:37 GMT 2023

PRIMARY

FDA UNII

U46D6MZM1V

Created by admin on Sat Dec 16 14:45:37 GMT 2023 , Edited by admin on Sat Dec 16 14:45:37 GMT 2023

PRIMARY

PUBCHEM

137528224

Created by admin on Sat Dec 16 14:45:37 GMT 2023 , Edited by admin on Sat Dec 16 14:45:37 GMT 2023

PRIMARY

CAS

1589488-42-5

Created by admin on Sat Dec 16 14:45:37 GMT 2023 , Edited by admin on Sat Dec 16 14:45:37 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY