Structural Complex
Chemical ID: PRD_001236
IUPAC Name: cyclic-tris-alanylselenazole
Formal Charge: ?
Type: peptide-like
Physiochemical Descriptor:
Formula: C18 H18 N6 O3 Se3
Molecular weight: 603.254
Hydrogen Bond Acceptor:
Hydrogen Bond Donor:
Rotatable Bonds:
Heavy Atoms:
Systematic name
Program Version Descriptor
ACDLabs 12.01 (4R,11S,18S)-4,11,18-trimethyl-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 12.01 O=C3NC(c1[se]cc(n1)C(=O)NC(c4nc(C(=O)NC(c2[se]cc3n2)C)c[se]4)C)C
InChI InChI 1.03 InChI=1S/C18H18N6O3Se3/c1-7-16-22-11(4-28-16)14(26)20-9(3)18-24-12(6-30-18)15(27)21-8(2)17-23-10(5-29-17)13(25)19-7/h4-9H,1-3H3,(H,19,25)(H,20,26)(H,21,27)
InChIKey InChI 1.03 PMCFXJCCKCUNTO-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 C[C@@H]1NC(=O)c2c[se]c(n2)[C@H](C)NC(=O)c3c[se]c(n3)[C@H](C)NC(=O)c4c[se]c1n4
SMILES CACTVS 3.385 C[CH]1NC(=O)c2c[se]c(n2)[CH](C)NC(=O)c3c[se]c(n3)[CH](C)NC(=O)c4c[se]c1n4
SMILES_CANONICAL OpenEye OEToolkits 1.7.6 C[C@H]1c2nc(c[se]2)C(=O)N[C@H](c3nc(c[se]3)C(=O)N[C@H](c4nc(c[se]4)C(=O)N1)C)C
SMILES OpenEye OEToolkits 1.7.6 CC1c2nc(c[se]2)C(=O)NC(c3nc(c[se]3)C(=O)NC(c4nc(c[se]4)C(=O)N1)C)C
Chemical Database Mapping
Database Reference ID
PubChem 139592416
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