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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H50N10O20
Molecular Weight 954.8479
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TROFOLASTAT

SMILES

OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)N[C@@H](CCCCN(CC1=NC=CN1CC(=O)N(CC(O)=O)CC(O)=O)CC2=NC=CN2CC(=O)N(CC(O)=O)CC(O)=O)C(O)=O)C(O)=O)C(O)=O

InChI

InChIKey=FIHVIDKDARACGD-VABKMULXSA-N
InChI=1S/C37H50N10O20/c48-26(6-4-22(35(63)64)41-37(67)42-23(36(65)66)5-7-29(51)52)40-21(34(61)62)3-1-2-10-43(13-24-38-8-11-44(24)15-27(49)46(17-30(53)54)18-31(55)56)14-25-39-9-12-45(25)16-28(50)47(19-32(57)58)20-33(59)60/h8-9,11-12,21-23H,1-7,10,13-20H2,(H,40,48)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,41,42,67)/t21-,22-,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TROFOLASTAT
USAN  
USAN  
Official Name English
TROFOLASTAT [USAN]
Common Name English
MIP-1404
Code English
N2-(((1S)-1,3-DICARBOXYPROPYL)CARBAMOYL)-L-.GAMMA.-GLUTAMYL-N6,N6-BIS((1-(2-(BIS(CARBOXYMETHYL)AMINO)-2-OXOETHYL)-1H-IMIDAZOL-2-YL)METHYL)-L-LYSINE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1937
Created by admin on Sat Dec 16 09:24:23 UTC 2023 , Edited by admin on Sat Dec 16 09:24:23 UTC 2023
Code System Code Type Description
CAS
1660954-70-0
Created by admin on Sat Dec 16 09:24:23 UTC 2023 , Edited by admin on Sat Dec 16 09:24:23 UTC 2023
PRIMARY
PUBCHEM
46241486
Created by admin on Sat Dec 16 09:24:23 UTC 2023 , Edited by admin on Sat Dec 16 09:24:23 UTC 2023
PRIMARY
NCI_THESAURUS
C152758
Created by admin on Sat Dec 16 09:24:23 UTC 2023 , Edited by admin on Sat Dec 16 09:24:23 UTC 2023
PRIMARY
FDA UNII
65ZW6NF97U
Created by admin on Sat Dec 16 09:24:23 UTC 2023 , Edited by admin on Sat Dec 16 09:24:23 UTC 2023
PRIMARY