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Details

Stereochemistry EPIMERIC
Molecular Formula C42H64N12O14
Molecular Weight 961.0296
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 5
E/Z Centers 0
Charge 0
Stereo Comments ASSUMED EPIMERIC MAYBE S ISOMER

SHOW SMILES / InChI
Structure of NODAGA-RGD

SMILES

NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCC(N2CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(O)=O)NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O

InChI

InChIKey=NRPCBYZZKTZCKW-SJXZDAAPSA-N
InChI=1S/C42H64N12O14/c43-42(44)46-14-6-10-27-37(63)47-23-33(56)48-30(22-34(57)58)40(66)51-29(21-26-7-2-1-3-8-26)39(65)50-28(38(64)49-27)9-4-5-13-45-32(55)12-11-31(41(67)68)54-19-17-52(24-35(59)60)15-16-53(18-20-54)25-36(61)62/h1-3,7-8,27-31H,4-6,9-25H2,(H,45,55)(H,47,63)(H,48,56)(H,49,64)(H,50,65)(H,51,66)(H,57,58)(H,59,60)(H,61,62)(H,67,68)(H4,43,44,46)/t27-,28-,29+,30-,31?/m0/s1

HIDE SMILES / InChI

Molecular Formula C42H64N12O14
Molecular Weight 961.0296
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:58:33 GMT 2023
Edited
by admin
on Sat Dec 16 13:58:33 GMT 2023
Record UNII
2HV7SRT88D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NODAGA-RGD
Common Name English
Code System Code Type Description
PUBCHEM
102486241
Created by admin on Sat Dec 16 13:58:33 GMT 2023 , Edited by admin on Sat Dec 16 13:58:33 GMT 2023
PRIMARY
FDA UNII
2HV7SRT88D
Created by admin on Sat Dec 16 13:58:33 GMT 2023 , Edited by admin on Sat Dec 16 13:58:33 GMT 2023
PRIMARY
CAS
1414595-49-5
Created by admin on Sat Dec 16 13:58:33 GMT 2023 , Edited by admin on Sat Dec 16 13:58:33 GMT 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED