Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H42N6O3.ClH |
| Molecular Weight | 583.165 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CN(C)N(C)C(=O)[C@@]2(CC1=CC=CC=C1)CCCN(C2)C(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC(=O)C(C)(C)N
InChI
InChIKey=VFYAEUWJFGTGGO-GHTUPXNNSA-N
InChI=1S/C31H42N6O3.ClH/c1-30(2,32)28(39)34-26(18-23-20-33-25-15-10-9-14-24(23)25)27(38)37-17-11-16-31(21-37,29(40)36(5)35(3)4)19-22-12-7-6-8-13-22;/h6-10,12-15,20,26,33H,11,16-19,21,32H2,1-5H3,(H,34,39);1H/t26-,31-;/m1./s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C1935
Created by
admin on Fri Dec 15 15:56:19 UTC 2023 , Edited by admin on Fri Dec 15 15:56:19 UTC 2023
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m12067
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55F75LJQ0V
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CHEMBL2110579
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C72701
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SS-21
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16072155
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DTXSID70235443
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861998-00-7
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DBSALT002031
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SUB179972
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ACTIVE MOIETY
SUBSTANCE RECORD