HCG

DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-GLYCINE

Created:	2004-06-01
Last modified:	2011-06-04

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2 entries where HCG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	2
Bond Count	39
Aromatic Bond Count	0

2D diagram of HCG

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Chemical Component Summary
Name	DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-GLYCINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-6-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid
Formula	C₁₁ H₁₉ N₃ O₆ S
Molecular Weight	321.35
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NCC(=O)O)C(NC(=O)CCCC(C(=O)O)N)CS
SMILES	CACTVS	3.341	N[CH](CCCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(CC(C(=O)O)N)CC(=O)NC(CS)C(=O)NCC(=O)O
Canonical SMILES	CACTVS	3.341	N[C@@H](CCCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)NCC(=O)O
InChI	InChI	1.03	InChI=1S/C11H19N3O6S/c12-6(11(19)20)2-1-3-8(15)14-7(5-21)10(18)13-4-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
InChIKey	InChI	1.03	XFOOPZIJVVDYHI-BQBZGAKWSA-N

Related Resource References

Resource Name	Reference
PubChem	4369448
ChEMBL	CHEMBL1233255

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