BYT

Biocytin

Created:	2013-08-01
Last modified:	2020-06-05

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1 entries where BYT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	4
Bond Count	54
Aromatic Bond Count	0

2D diagram of BYT

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Chemical Component Summary
Name	Biocytin
Synonyms	N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine
Systematic Name (OpenEye OEToolkits)	(2S)-6-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-azanyl-hexanoic acid
Formula	C₁₆ H₂₈ N₄ O₄ S
Molecular Weight	372.483
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCC(C(=O)O)N
SMILES	CACTVS	3.385	N[CH](CCCCNC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C1C2C(C(S1)CCCCC(=O)NCCCCC(C(=O)O)N)NC(=O)N2
Canonical SMILES	CACTVS	3.385	N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2
InChI	InChI	1.03	InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1
InChIKey	InChI	1.03	BAQMYDQNMFBZNA-MNXVOIDGSA-N

Related Resource References

Resource Name	Reference
PubChem	83814, 7098660
ChEBI	CHEBI:27870

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