0HZ
amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium
Created: | 2008-11-05 |
Last modified: | 2020-06-05 |
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Chemical Details | |
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Formal Charge | 1 |
Atom Count | 38 |
Chiral Atom Count | 2 |
Bond Count | 39 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium |
Synonyms | CI-4; [cyclo-(l-Arg-d-Pro)] |
Systematic Name (OpenEye OEToolkits) | [[3-[(3S,8aR)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-d]pyrazin-3-yl]propylamino]-amino-methylidene]azanium |
Formula | C11 H20 N5 O2 |
Molecular Weight | 254.309 |
Type | PEPTIDE-LIKE |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1N2C(C(=O)NC1CCCNC(=[NH2+])/N)CCC2 |
SMILES | CACTVS | 3.341 | NC(=[NH2+])NCCC[CH]1NC(=O)[CH]2CCCN2C1=O |
Canonical SMILES | CACTVS | 3.341 | NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H]2CCCN2C1=O |
InChI | InChI | 1.03 | InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/p+1/t7-,8+/m0/s1 |
InChIKey | InChI | 1.03 | ZRJHYOXNWCMGMW-JGVFFNPUSA-O |
Related Resource References
Resource Name | Reference |
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PubChem | 137347862 |