Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C15H19NO3S2.C6H14N4O2 |
Molecular Weight | 499.647 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
N[C@@H](CCCNC(N)=N)C(O)=O.C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)SC2=CC=CC=C2
InChI
InChIKey=OSKWTWSFSUAPKP-KQUFBQNASA-N
InChI=1S/C15H19NO3S2.C6H14N4O2/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)21-11-5-3-2-4-6-11;7-4(5(11)12)2-1-3-10-6(8)9/h2-6,10,12-13,20H,7-9H2,1H3,(H,18,19);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t10-,12+,13+;4-/m10/s1
Approval Year
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C247
Created by
admin on Fri Dec 15 15:49:37 UTC 2023 , Edited by admin on Fri Dec 15 15:49:37 UTC 2023
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11954366
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DTXSID701002278
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81872-09-5
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BB-47
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36F26ZSQ0D
Created by
admin on Fri Dec 15 15:49:37 UTC 2023 , Edited by admin on Fri Dec 15 15:49:37 UTC 2023
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C66700
Created by
admin on Fri Dec 15 15:49:37 UTC 2023 , Edited by admin on Fri Dec 15 15:49:37 UTC 2023
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PARENT (SALT/SOLVATE)
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD