NC-100668

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C83H141IN22O23
Molecular Weight	1942.0457
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC(C)(C)NCCN(CCNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC(I)=C(O)C=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)C(C)C)[C@@H](C)O)CCNC(C)(C)C(\C)=N\O

InChI

InChIKey=WVWHTKCPGJBIOT-CILVRPJVSA-N

InChI=1S/C83H141IN22O23/c1-15-82(11,12)91-31-35-105(36-32-92-83(13,14)48(9)104-129)34-30-89-66(114)42-90-70(117)52(19-16-17-29-85)94-74(121)56(37-44(2)3)98-75(122)57(38-45(4)5)100-80(127)69(47(8)108)103-77(124)58(40-50-21-25-62(110)51(84)39-50)99-78(125)61-20-18-33-106(61)81(128)60(43-107)101-79(126)68(46(6)7)102-73(120)54(23-27-64(87)112)95-72(119)55(24-28-67(115)116)96-71(118)53(22-26-63(86)111)97-76(123)59(41-65(88)113)93-49(10)109/h21,25,39,44-47,52-61,68-69,91-92,107-108,110,129H,15-20,22-24,26-38,40-43,85H2,1-14H3,(H2,86,111)(H2,87,112)(H2,88,113)(H,89,114)(H,90,117)(H,93,109)(H,94,121)(H,95,119)(H,96,118)(H,97,123)(H,98,122)(H,99,125)(H,100,127)(H,101,126)(H,102,120)(H,103,124)(H,115,116)/b104-48+/t47-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,68+,69+/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

NC100668

Preferred Name

English

NC-100668

Code

English

Glycinamide, N2-acetyl-L-asparaginyl-L-glutaminyl-L-?-glutamyl-L-glutaminyl-L-valyl-L-seryl-L-prolyl-3-iodo-L-tyrosyl-L-threonyl-L-leucyl-L-leucyl-L-lysyl-N-[2-[bis[2-[[2-(hydroxyimino)-1,1-dimethylpropyl]amino]ethyl]amino]ethyl]-

Systematic Name

English

Code System Code Type Description

FDA UNII

3D6385FX7L

Created by admin on Wed Apr 02 19:04:10 GMT 2025 , Edited by admin on Wed Apr 02 19:04:10 GMT 2025

PRIMARY

PUBCHEM

169490714

Created by admin on Wed Apr 02 19:04:10 GMT 2025 , Edited by admin on Wed Apr 02 19:04:10 GMT 2025

PRIMARY

CAS

250786-60-8

Created by admin on Wed Apr 02 19:04:10 GMT 2025 , Edited by admin on Wed Apr 02 19:04:10 GMT 2025

PRIMARY

SUBSTANCE RECORD


					3D6385FX7L

NC-100668