9HD

1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one

Created:	2017-05-11
Last modified:	2020-06-05

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2 entries where 9HD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	82
Chiral Atom Count	3
Bond Count	86
Aromatic Bond Count	0

2D diagram of 9HD

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Chemical Component Summary
Name	1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one
Synonyms	Polyvinylpyrrolidone K15
Systematic Name (OpenEye OEToolkits)	1-[(3~{R},5~{S},7~{R})-1,5,7,9-tetrakis(2-oxidanylidenepyrrolidin-1-yl)nonan-3-yl]-3~{H}-pyrrol-2-one
Formula	C₂₉ H₄₃ N₅ O₅
Molecular Weight	541.682
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1=CN(C(C1)=O)C(CC(CC(N2C(CCC2)=O)CCN3C(=O)CCC3)N4C(CCC4)=O)CCN5C(CCC5)=O
SMILES	CACTVS	3.385	O=C1CCCN1CC[CH](C[CH](C[CH](CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O
SMILES	OpenEye OEToolkits	2.0.6	C1CC(=O)N(C1)CCC(CC(CC(CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O
Canonical SMILES	CACTVS	3.385	O=C1CCCN1CC[C@H](C[C@@H](C[C@@H](CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1CC(=O)N(C1)CC[C@H](C[C@@H](C[C@@H](CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O
InChI	InChI	1.03	InChI=1S/C29H43N5O5/c35-25-6-1-13-30(25)18-11-22(32-15-3-8-27(32)37)20-24(34-17-5-10-29(34)39)21-23(33-16-4-9-28(33)38)12-19-31-14-2-7-26(31)36/h3,15,22-24H,1-2,4-14,16-21H2/t22-,23-,24-/m1/s1
InChIKey	InChI	1.03	UBULRTDFHFSWCU-WXFUMESZSA-N

Related Resource References

Resource Name	Reference
PubChem	137348824

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